(3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol

C11H11F3O2 — CID 177205428

IUPAC(3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol
SMILESC[C@H]1c2ccc(C(F)(F)F)cc2OC[C@H]1O
InChIInChI=1S/C11H11F3O2/c1-6-8-3-2-7(11(12,13)14)4-10(8)16-5-9(6)15/h2-4,6,9,15H,5H2,1H3/t6-,9+/m0/s1
InChIKeyOWXVWYCDMBGNLU-IMTBSYHQSA-N
MW232.20 g/mol
LogP2.56
Rot. Bonds

About (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol

(3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 177205428) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID177205428
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name(3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol
SMILESC[C@H]1c2ccc(C(F)(F)F)cc2OC[C@H]1O
InChIInChI=1S/C11H11F3O2/c1-6-8-3-2-7(11(12,13)14)4-10(8)16-5-9(6)15/h2-4,6,9,15H,5H2,1H3/t6-,9+/m0/s1
InChIKeyOWXVWYCDMBGNLU-IMTBSYHQSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4aS,10bR)-2-methyl-8-(trifluoromethyl)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine-1-carbaldehyde
CID 177205793
6-tert-butyl-2,3-dihydro-1-benzofuran-3-amine
CID 55296444
4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 89103867
1-methyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazol-4-amine
CID 170760040
(3R,4S)-3-bromo-2,2-dimethyl-7-(trifluoromethyl)-3,4-dihydrochromen-4-ol
CID 54174415
tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]carbamate
CID 171823464
[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]methanol
CID 73424795
(3R)-3-bromo-7-(trifluoromethyl)-2,3-dihydrochromen-4-one
CID 177204866
(3S,4R)-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromene-3,4-diol
CID 135066512
3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde
CID 174668791
3-tert-butyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837582
(2R)-2-[(8S,10aS)-3-(trifluoromethyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-yl]-1-[(4-methylcyclohexyl)methylideneamino]propan-1-ol
CID 139554376

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol (CID 177205428) is (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol is C[C@H]1c2ccc(C(F)(F)F)cc2OC[C@H]1O.
What is the InChIKey of (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is OWXVWYCDMBGNLU-IMTBSYHQSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-6-8-3-2-7(11(12,13)14)4-10(8)16-5-9(6)15/h2-4,6,9,15H,5H2,1H3/t6-,9+/m0/s1.
What are the key properties of (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol?
(3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 232.20 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 177205428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).