(2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol

C12H13F2N3O — CID 142379703

IUPAC(2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol
SMILESCC[C@](C)(O)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C12H13F2N3O/c1-3-12(2,18)11-7-17(16-15-11)10-5-4-8(13)6-9(10)14/h4-7,18H,3H2,1-2H3/t12-/m0/s1
InChIKeyKCWBTPHJJMXWFF-LBPRGKRZSA-N
MW253.25 g/mol
LogP2.16
Rot. Bonds3

About (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol

(2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol (PubChem CID 142379703) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol
PubChem CID142379703
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol
SMILESCC[C@](C)(O)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C12H13F2N3O/c1-3-12(2,18)11-7-17(16-15-11)10-5-4-8(13)6-9(10)14/h4-7,18H,3H2,1-2H3/t12-/m0/s1
InChIKeyKCWBTPHJJMXWFF-LBPRGKRZSA-N
XLogP2.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-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

2-[1-(3,4-difluorophenyl)triazol-4-yl]butan-2-ol
CID 135135935
2-(1-propan-2-yltriazol-4-yl)butan-2-ol
CID 130560981
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole
CID 140879668
1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole
CID 58704813
N-[[1-(4-chloro-2-fluorophenyl)triazol-4-yl]methyl]ethanamine
CID 66207281
5'-[4-(2-hydroxybutan-2-yl)triazol-1-yl]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 71583901
4-[(2R)-butan-2-yl]-1-(2,4-difluorophenyl)pyrazole
CID 148643354
4-[(2R)-butan-2-yl]-1-(2,5-difluorophenyl)triazole
CID 135133408
(2,4-difluorophenyl)-bis(2-methylbutan-2-yl)phosphane
CID 22925469
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 102031317
1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63952437

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol?
The IUPAC name of (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol (CID 142379703) is (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol.
What is the SMILES notation for (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol?
The canonical SMILES for (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol is CC[C@](C)(O)c1cn(-c2ccc(F)cc2F)nn1.
What is the InChIKey of (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol?
The InChIKey is KCWBTPHJJMXWFF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-3-12(2,18)11-7-17(16-15-11)10-5-4-8(13)6-9(10)14/h4-7,18H,3H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol?
(2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol has a molecular weight of 253.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(2,4-difluorophenyl)triazol-4-yl]butan-2-ol is sourced from PubChem (CID 142379703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).