(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol

C11H12FN3O — CID 129393826

IUPAC(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
SMILESCc1ccc(-n2cc([C@H](C)O)nn2)cc1F
InChIInChI=1S/C11H12FN3O/c1-7-3-4-9(5-10(7)12)15-6-11(8(2)16)13-14-15/h3-6,8,16H,1-2H3/t8-/m0/s1
InChIKeyRHVIINLZCQYILR-QMMMGPOBSA-N
MW221.23 g/mol
LogP1.77
Rot. Bonds2

About (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol

(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol (PubChem CID 129393826) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
PubChem CID129393826
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
SMILESCc1ccc(-n2cc([C@H](C)O)nn2)cc1F
InChIInChI=1S/C11H12FN3O/c1-7-3-4-9(5-10(7)12)15-6-11(8(2)16)13-14-15/h3-6,8,16H,1-2H3/t8-/m0/s1
InChIKeyRHVIINLZCQYILR-QMMMGPOBSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-chloroethyl)-1-(3-fluoro-4-methylphenyl)triazole
CID 81444967
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194
(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol
CID 129393821
1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol
CID 81444929
1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113482604
N-[[1-(3-fluoro-4-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66207273
(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol
CID 129393823
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol
CID 107586775
1-[1-(4-chloro-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113482589
5-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]-2-methylpyrimidine
CID 155276389

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol (CID 129393826) is (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol is Cc1ccc(-n2cc([C@H](C)O)nn2)cc1F.
What is the InChIKey of (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol?
The InChIKey is RHVIINLZCQYILR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7-3-4-9(5-10(7)12)15-6-11(8(2)16)13-14-15/h3-6,8,16H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol?
(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol has a molecular weight of 221.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 129393826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).