2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol

C14H17FO4 — CID 58400530

IUPAC2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol
SMILESCC1(C)OC[C@H](C2(O)CCc3cc(F)ccc3O2)O1
InChIInChI=1S/C14H17FO4/c1-13(2)17-8-12(19-13)14(16)6-5-9-7-10(15)3-4-11(9)18-14/h3-4,7,12,16H,5-6,8H2,1-2H3/t12-,14?/m1/s1
InChIKeyIIOXAUOQRMNBMW-PUODRLBUSA-N
MW268.28 g/mol
LogP1.99
Rot. Bonds1

About 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol

2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol (PubChem CID 58400530) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol
PubChem CID58400530
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol
SMILESCC1(C)OC[C@H](C2(O)CCc3cc(F)ccc3O2)O1
InChIInChI=1S/C14H17FO4/c1-13(2)17-8-12(19-13)14(16)6-5-9-7-10(15)3-4-11(9)18-14/h3-4,7,12,16H,5-6,8H2,1-2H3/t12-,14?/m1/s1
InChIKeyIIOXAUOQRMNBMW-PUODRLBUSA-N
XLogP1.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol with MolForge

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Related Compounds

ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 143131950
(2R)-6-fluoro-2-methyl-3,4-dihydrochromene-2-carbaldehyde
CID 88857910
1-(2-chloro-6-fluoro-3,4-dihydrochromen-2-yl)propan-1-one
CID 174577415
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2H-chromene
CID 58400519
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107386305
6-fluoro-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-3,4-dihydrochromen-2-ol
CID 24865495
5-fluoro-2,2-dimethyl-1,3-benzodioxole
CID 18966282
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-2-methyl-3,4-dihydrochromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 70823271
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate
CID 163392738
6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
CID 129390775

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol?
The IUPAC name of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol (CID 58400530) is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol?
The canonical SMILES for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol is CC1(C)OC[C@H](C2(O)CCc3cc(F)ccc3O2)O1.
What is the InChIKey of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol?
The InChIKey is IIOXAUOQRMNBMW-PUODRLBUSA-N. The full InChI is InChI=1S/C14H17FO4/c1-13(2)17-8-12(19-13)14(16)6-5-9-7-10(15)3-4-11(9)18-14/h3-4,7,12,16H,5-6,8H2,1-2H3/t12-,14?/m1/s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol?
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol has a molecular weight of 268.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3,4-dihydrochromen-2-ol is sourced from PubChem (CID 58400530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).