1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol

C15H14ClF4N3O2 — CID 162383831

IUPAC1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccc(OC(F)(F)F)cc1Cl)C1(CF)CC1
InChIInChI=1S/C15H14ClF4N3O2/c16-12-5-10(25-15(18,19)20)1-2-11(12)14(24,13(6-17)3-4-13)7-23-9-21-8-22-23/h1-2,5,8-9,24H,3-4,6-7H2
InChIKeyDLBDUKYHUSVCCD-UHFFFAOYSA-N
MW379.74 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol

1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 162383831) has the molecular formula C15H14ClF4N3O2 and a molecular weight of 379.74 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID162383831
Molecular FormulaC15H14ClF4N3O2
Molecular Weight379.74 g/mol
Exact Mass379.07
IUPAC Name1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccc(OC(F)(F)F)cc1Cl)C1(CF)CC1
InChIInChI=1S/C15H14ClF4N3O2/c16-12-5-10(25-15(18,19)20)1-2-11(12)14(24,13(6-17)3-4-13)7-23-9-21-8-22-23/h1-2,5,8-9,24H,3-4,6-7H2
InChIKeyDLBDUKYHUSVCCD-UHFFFAOYSA-N
XLogP3.47
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol with MolForge

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Related Compounds

1-[2-chloro-4-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-(1,2,4-triazol-1-yl)-1-[1-(trifluoromethyl)cyclopropyl]ethanol
CID 162383841
1-(4-chlorophenyl)-1-[1-(hydroxymethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 14994823
3-chloro-4-[1-cyclopropyl-1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]phenol;1-[2-chloro-4-(difluoromethoxy)phenyl]-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol
CID 160590223
(2S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 175765169
(3R)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-fluoro-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 90239812
(3S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3-fluoro-1-(1,2,4-triazol-1-yl)butan-2-ol;hydrochloride
CID 90240920
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 67832646
2-[3-chloro-4-(trifluoromethyl)phenyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 151101839
2-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 71258978
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-propan-2-yloxy-2-(1,2,4-triazol-1-yl)ethanol
CID 141295495
1-[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol
CID 90241007
methyl 2-[2-chloro-4-(4-methoxyphenoxy)phenyl]-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
CID 142588665

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol (CID 162383831) is 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol is OC(Cn1cncn1)(c1ccc(OC(F)(F)F)cc1Cl)C1(CF)CC1.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is DLBDUKYHUSVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF4N3O2/c16-12-5-10(25-15(18,19)20)1-2-11(12)14(24,13(6-17)3-4-13)7-23-9-21-8-22-23/h1-2,5,8-9,24H,3-4,6-7H2.
What are the key properties of 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol?
1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 379.74 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethoxy)phenyl]-1-[1-(fluoromethyl)cyclopropyl]-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 162383831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).