(4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol

C11H12F2O2 — CID 68595137

IUPAC(4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCC1(CF)C[C@H](O)c2cccc(F)c2O1
InChIInChI=1S/C11H12F2O2/c1-11(6-12)5-9(14)7-3-2-4-8(13)10(7)15-11/h2-4,9,14H,5-6H2,1H3/t9-,11?/m0/s1
InChIKeyOMTCQXIOSNHDKP-FTNKSUMCSA-N
MW214.21 g/mol
LogP2.37
Rot. Bonds1

About (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol

(4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol (PubChem CID 68595137) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
PubChem CID68595137
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name(4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol
SMILESCC1(CF)C[C@H](O)c2cccc(F)c2O1
InChIInChI=1S/C11H12F2O2/c1-11(6-12)5-9(14)7-3-2-4-8(13)10(7)15-11/h2-4,9,14H,5-6H2,1H3/t9-,11?/m0/s1
InChIKeyOMTCQXIOSNHDKP-FTNKSUMCSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Xanthydrol
CID 72861
Benzenemethanol, 2-(phenylmethoxy)-
CID 18811
(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 2795472
Chroman-4-ol
CID 92890
3,4-Dihydro-6-methoxy-2,2-dimethyl-2H-1-benzopyran-4-ol
CID 24252761
Benzenemethanol, 2-ethoxy-
CID 51381
2-Phenoxybenzyl alcohol
CID 3660111
2-Methoxybenzhydryl alcohol
CID 90839
6-Hydroxy-2,2-dimethylchroman
CID 150948
3,4-Dihydro-6-methyl-2H-1-benzopyran-4-ol
CID 12328973
3,4-Dihydro-2-methyl-2H-1-benzopyran-6-ol
CID 15729798
2-(2,2-dimethyl-2H-chromen-6-yl)ethanol
CID 637149

Frequently Asked Questions

What is the IUPAC name of (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The IUPAC name of (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol (CID 68595137) is (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol is CC1(CF)C[C@H](O)c2cccc(F)c2O1.
What is the InChIKey of (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol?
The InChIKey is OMTCQXIOSNHDKP-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-11(6-12)5-9(14)7-3-2-4-8(13)10(7)15-11/h2-4,9,14H,5-6H2,1H3/t9-,11?/m0/s1.
What are the key properties of (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol?
(4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol has a molecular weight of 214.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-fluoro-2-(fluoromethyl)-2-methyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 68595137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).