(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol

C14H11F4NO — CID 162596340

IUPAC(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(C(F)(F)[C@@H](O)c2ccc(F)cc2F)nc1
InChIInChI=1S/C14H11F4NO/c1-8-2-5-12(19-7-8)14(17,18)13(20)10-4-3-9(15)6-11(10)16/h2-7,13,20H,1H3/t13-/m0/s1
InChIKeyLTBABAHDBUFVBS-ZDUSSCGKSA-N
MW285.24 g/mol
LogP3.49
Rot. Bonds3

About (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol

(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol (PubChem CID 162596340) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol
PubChem CID162596340
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol
SMILESCc1ccc(C(F)(F)[C@@H](O)c2ccc(F)cc2F)nc1
InChIInChI=1S/C14H11F4NO/c1-8-2-5-12(19-7-8)14(17,18)13(20)10-4-3-9(15)6-11(10)16/h2-7,13,20H,1H3/t13-/m0/s1
InChIKeyLTBABAHDBUFVBS-ZDUSSCGKSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol
CID 144927672
2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine
CID 144927611
1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61086809
(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
CID 118397061
3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane
CID 144927491
2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine
CID 144927260
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487
1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046035
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
(2,4-difluorophenyl)-(5-methylpyrazin-2-yl)methanol
CID 105094711
(2,4-difluorophenyl)methanediol
CID 91089962
1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310549

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol?
The IUPAC name of (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol (CID 162596340) is (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol is Cc1ccc(C(F)(F)[C@@H](O)c2ccc(F)cc2F)nc1.
What is the InChIKey of (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol?
The InChIKey is LTBABAHDBUFVBS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H11F4NO/c1-8-2-5-12(19-7-8)14(17,18)13(20)10-4-3-9(15)6-11(10)16/h2-7,13,20H,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol?
(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol has a molecular weight of 285.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 162596340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).