2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol

C15H13F4NO — CID 144927672

IUPAC2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol
SMILESCc1ccc(C(F)(F)C(CO)c2ccc(F)cc2F)nc1
InChIInChI=1S/C15H13F4NO/c1-9-2-5-14(20-7-9)15(18,19)12(8-21)11-4-3-10(16)6-13(11)17/h2-7,12,21H,8H2,1H3
InChIKeyBUIJESHMZQWJBU-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.54
Rot. Bonds4

About 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol

2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol (PubChem CID 144927672) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol
PubChem CID144927672
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol
SMILESCc1ccc(C(F)(F)C(CO)c2ccc(F)cc2F)nc1
InChIInChI=1S/C15H13F4NO/c1-9-2-5-14(20-7-9)15(18,19)12(8-21)11-4-3-10(16)6-13(11)17/h2-7,12,21H,8H2,1H3
InChIKeyBUIJESHMZQWJBU-UHFFFAOYSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol
CID 162596340
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-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine
CID 144927611
(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
CID 118397061
N,N'-diamino-N-[3-[5-[5-(difluoromethyl)thiophen-2-yl]-2-pyridinyl]-2-(2,4-difluorophenyl)-3,3-difluoropropyl]methanimidamide
CID 137426998
N,N'-diamino-N-[3-(5-benzyl-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropyl]methanimidamide
CID 137427057
5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole
CID 137427020
N,N'-diamino-N-[2-(2,4-difluorophenyl)-3,3-difluoro-3-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]methanimidamide
CID 144927630
N-amino-N'-[2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-morpholin-4-yl-2-pyridinyl)propyl]methanimidamide
CID 137427029
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
N,N'-diamino-N-[(2S)-2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-(5-methyl-2-pyridinyl)propyl]methanimidamide
CID 144927477

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol (CID 144927672) is 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol is Cc1ccc(C(F)(F)C(CO)c2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol?
The InChIKey is BUIJESHMZQWJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-9-2-5-14(20-7-9)15(18,19)12(8-21)11-4-3-10(16)6-13(11)17/h2-7,12,21H,8H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol?
2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol has a molecular weight of 299.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 144927672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).