(2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol

C17H14F5NO3 — CID 163452761

IUPAC(2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol
SMILESOC[C@@](O)(CF)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@H]2C(F)(F)F
InChIInChI=1S/C17H14F5NO3/c18-7-16(25,8-24)13-5-11-12(17(20,21)22)6-26-15(11)14(23-13)9-1-3-10(19)4-2-9/h1-5,12,24-25H,6-8H2/t12-,16+/m1/s1
InChIKeyBHYIZNIPIBOFKQ-WBMJQRKESA-N
MW375.29 g/mol
LogP3.08
Rot. Bonds4

About (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol

(2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol (PubChem CID 163452761) has the molecular formula C17H14F5NO3 and a molecular weight of 375.29 g/mol. Its IUPAC name is (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol
PubChem CID163452761
Molecular FormulaC17H14F5NO3
Molecular Weight375.29 g/mol
Exact Mass375.09
IUPAC Name(2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol
SMILESOC[C@@](O)(CF)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@H]2C(F)(F)F
InChIInChI=1S/C17H14F5NO3/c18-7-16(25,8-24)13-5-11-12(17(20,21)22)6-26-15(11)14(23-13)9-1-3-10(19)4-2-9/h1-5,12,24-25H,6-8H2/t12-,16+/m1/s1
InChIKeyBHYIZNIPIBOFKQ-WBMJQRKESA-N
XLogP3.08
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol with MolForge

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Related Compounds

2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide
CID 166672038
methyl 2-amino-N-[2-[[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]amino]propan-2-yl]prop-2-enimidate
CID 163575082
formamide;3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
CID 156872554
N-[(2S)-2-[7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 156809845
3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 145146088
3-amino-1,1,1-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
CID 166783129
(2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 122501499
8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 156872774
N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-8-(4-fluorophenyl)-3,4-dimethyl-2,4-dihydropyrano[2,3-c]pyridin-6-yl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 156872868
N-[(3R)-7-(4-fluorophenyl)-5-[(2R)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
CID 166680757
4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 144796013
(2S)-2-[(3R)-3-ethyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]butan-2-ol;(2R)-2-[(3S)-7-(4-fluorophenyl)-3-(hydroxymethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]butan-2-ol
CID 167650140

Frequently Asked Questions

What is the IUPAC name of (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol (CID 163452761) is (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol is OC[C@@](O)(CF)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@H]2C(F)(F)F.
What is the InChIKey of (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol?
The InChIKey is BHYIZNIPIBOFKQ-WBMJQRKESA-N. The full InChI is InChI=1S/C17H14F5NO3/c18-7-16(25,8-24)13-5-11-12(17(20,21)22)6-26-15(11)14(23-13)9-1-3-10(19)4-2-9/h1-5,12,24-25H,6-8H2/t12-,16+/m1/s1.
What are the key properties of (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol?
(2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol has a molecular weight of 375.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-fluoro-2-[(3S)-7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propane-1,2-diol is sourced from PubChem (CID 163452761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).