1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane

C12H15ClFN3 — CID 145240874

IUPAC1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane
SMILESCC.Cc1cc(Cl)ccc1-n1cc(CF)nn1
InChIInChI=1S/C10H9ClFN3.C2H6/c1-7-4-8(11)2-3-10(7)15-6-9(5-12)13-14-15;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyCDLBHCYMWVUSOK-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.72
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane

1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane (PubChem CID 145240874) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane
PubChem CID145240874
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Name1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane
SMILESCC.Cc1cc(Cl)ccc1-n1cc(CF)nn1
InChIInChI=1S/C10H9ClFN3.C2H6/c1-7-4-8(11)2-3-10(7)15-6-9(5-12)13-14-15;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyCDLBHCYMWVUSOK-UHFFFAOYSA-N
XLogP3.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylphenyl)-4-methyltriazole
CID 118286812
N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205065
N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]-2-methoxyethanamine
CID 66205470
1-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]-3-methylurea
CID 146106623
1-(4-chloro-2-fluorophenyl)-4-(chloromethyl)triazole
CID 62401748
1-(4-bromo-2-methylphenyl)-4-(chloromethyl)triazole
CID 81288012
4-(bromomethyl)-1-(4-fluoro-2-methylphenyl)triazole
CID 62401176
6-[5-chloro-2-[4-(fluoromethyl)triazol-1-yl]phenyl]-4-methoxy-1,4-dihydropyrimidine
CID 135195528
4-(chloromethyl)-1-[4-chloro-2-(trifluoromethyl)phenyl]triazole
CID 62401547
N-[[1-(4-chloro-2-fluorophenyl)triazol-4-yl]methyl]ethanamine
CID 66207281
4-(2-bromoethyl)-1-(2,5-dichlorophenyl)triazole
CID 62401728
1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine
CID 66206874

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane (CID 145240874) is 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane is CC.Cc1cc(Cl)ccc1-n1cc(CF)nn1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane?
The InChIKey is CDLBHCYMWVUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3.C2H6/c1-7-4-8(11)2-3-10(7)15-6-9(5-12)13-14-15;1-2/h2-4,6H,5H2,1H3;1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane?
1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane has a molecular weight of 255.72 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-4-(fluoromethyl)triazole;ethane is sourced from PubChem (CID 145240874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).