[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol

C12H14FN3O — CID 19914668

IUPAC[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)c1nnn(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C12H14FN3O/c1-8(2)12-11(7-17)16(15-14-12)10-5-3-9(13)4-6-10/h3-6,8,17H,7H2,1-2H3
InChIKeyBBIMKINURDQHPW-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.02
Rot. Bonds3

About [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol

[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol (PubChem CID 19914668) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol
PubChem CID19914668
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)c1nnn(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C12H14FN3O/c1-8(2)12-11(7-17)16(15-14-12)10-5-3-9(13)4-6-10/h3-6,8,17H,7H2,1-2H3
InChIKeyBBIMKINURDQHPW-UHFFFAOYSA-N
XLogP2.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methyl-triphenylphosphanium
CID 88507167
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
CID 82196737
1-(4-fluorophenyl)-5-(hydroxymethyl)-4-propan-2-ylpyrazole-3-carboxylic acid
CID 69471484
[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol
CID 82197597
methyl 1-(4-fluorophenyl)-5-(hydroxymethyl)-4-propan-2-ylpyrazole-3-carboxylate
CID 24754674
methyl 5-ethyl-1-(4-fluorophenyl)triazole-4-carboxylate
CID 94068968
methyl 1-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 94068970
1-(4-fluorophenyl)-5-methyl-3-propan-2-yl-1,2,4-triazole
CID 142960581
4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol
CID 94935692
7-[3-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3,5-dihydroxyheptanoic acid
CID 19914648
1-(4-fluorophenyl)-5-(2-methylpropyl)pyrazole-3-carbaldehyde
CID 118512828

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol (CID 19914668) is [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol is CC(C)c1nnn(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol?
The InChIKey is BBIMKINURDQHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(2)12-11(7-17)16(15-14-12)10-5-3-9(13)4-6-10/h3-6,8,17H,7H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol?
[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol has a molecular weight of 235.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 19914668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).