4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole

C10H7ClF3N3 — CID 117063313

IUPAC4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole
SMILESCc1c(-c2ccc(Cl)cc2F)nnn1C(F)F
InChIInChI=1S/C10H7ClF3N3/c1-5-9(15-16-17(5)10(13)14)7-3-2-6(11)4-8(7)12/h2-4,10H,1H3
InChIKeyLAHQAZZZWMUPMJ-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.44
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole

4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole (PubChem CID 117063313) has the molecular formula C10H7ClF3N3 and a molecular weight of 261.63 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole
PubChem CID117063313
Molecular FormulaC10H7ClF3N3
Molecular Weight261.63 g/mol
Exact Mass261.03
IUPAC Name4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole
SMILESCc1c(-c2ccc(Cl)cc2F)nnn1C(F)F
InChIInChI=1S/C10H7ClF3N3/c1-5-9(15-16-17(5)10(13)14)7-3-2-6(11)4-8(7)12/h2-4,10H,1H3
InChIKeyLAHQAZZZWMUPMJ-UHFFFAOYSA-N
XLogP3.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
3-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,2,4-triazole
CID 115394043
3-(4-chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-ol
CID 165444068
[3-(4-chloro-2-fluorophenyl)-1-methylpyrazol-4-yl]boronic acid
CID 71017394
6-bromo-2-(4-chloro-2-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 114860129
[5-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396082
5-[1-(4-chloro-2-fluorophenyl)-5-methyltriazol-4-yl]-2-cyclopropyl-3H-isoindol-1-one
CID 23158117
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
[5-(4-chloro-2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593844
3-(4-chloro-2-fluorophenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole
CID 18791016
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
CID 176675689

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole (CID 117063313) is 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole is Cc1c(-c2ccc(Cl)cc2F)nnn1C(F)F.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole?
The InChIKey is LAHQAZZZWMUPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3/c1-5-9(15-16-17(5)10(13)14)7-3-2-6(11)4-8(7)12/h2-4,10H,1H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole?
4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole has a molecular weight of 261.63 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5-methyltriazole is sourced from PubChem (CID 117063313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).