(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

C14H20F3NO2 — CID 100643068

IUPAC(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESC[C@](O)(CN[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1
InChIInChI=1S/C14H20F3NO2/c1-13(19,12-6-3-7-20-12)9-18-11-5-2-4-10(8-11)14(15,16)17/h3,6-7,10-11,18-19H,2,4-5,8-9H2,1H3/t10-,11+,13+/m1/s1
InChIKeyQLQBUUOHTAZUNM-MDZLAQPJSA-N
MW291.31 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol

(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 100643068) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
PubChem CID100643068
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
SMILESC[C@](O)(CN[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1
InChIInChI=1S/C14H20F3NO2/c1-13(19,12-6-3-7-20-12)9-18-11-5-2-4-10(8-11)14(15,16)17/h3,6-7,10-11,18-19H,2,4-5,8-9H2,1H3/t10-,11+,13+/m1/s1
InChIKeyQLQBUUOHTAZUNM-MDZLAQPJSA-N
XLogP3.20
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol with MolForge

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Related Compounds

1-Amino-2-(furan-2-yl)propan-2-ol
CID 54595271
Rac-1-(2-furyl)-2-(methylamino)ethanol
CID 11320981
2-(4-Fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide
CID 71782573
N1-(2-(furan-2-yl)-2-hydroxypropyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71782606
2-(Benzylamino)-1-(furan-2-yl)ethan-1-ol
CID 60752365
N-(2-(furan-2-yl)-2-hydroxypropyl)pivalamide
CID 71782531
2-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782535
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-phenoxypropanamide
CID 71782557
N'-[2-(cyclohex-1-en-1-yl)ethyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]ethanediamide
CID 71782594
1-(2-(Furan-2-yl)-2-hydroxypropyl)-3-(3-phenylpropyl)urea
CID 71782642
2-(4-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 49670513

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol (CID 100643068) is (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is C[C@](O)(CN[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1.
What is the InChIKey of (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is QLQBUUOHTAZUNM-MDZLAQPJSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-13(19,12-6-3-7-20-12)9-18-11-5-2-4-10(8-11)14(15,16)17/h3,6-7,10-11,18-19H,2,4-5,8-9H2,1H3/t10-,11+,13+/m1/s1.
What are the key properties of (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol?
(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 100643068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).