1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene

C9H4ClF5O — CID 59133252

IUPAC1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene
SMILESF/C(Cl)=C(/F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H4ClF5O/c10-8(12)7(11)5-1-3-6(4-2-5)16-9(13,14)15/h1-4H/b8-7+
InChIKeyOMPZDNUEFWYESO-BQYQJAHWSA-N
MW258.57 g/mol
LogP4.39
Rot. Bonds2

About 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene

1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene (PubChem CID 59133252) has the molecular formula C9H4ClF5O and a molecular weight of 258.57 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene
PubChem CID59133252
Molecular FormulaC9H4ClF5O
Molecular Weight258.57 g/mol
Exact Mass257.99
IUPAC Name1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene
SMILESF/C(Cl)=C(/F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H4ClF5O/c10-8(12)7(11)5-1-3-6(4-2-5)16-9(13,14)15/h1-4H/b8-7+
InChIKeyOMPZDNUEFWYESO-BQYQJAHWSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
2-chloro-2,2-difluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 19915312
CID 59303798
CID 59303798
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
CID 114962182
[4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate
CID 23565882
[4-(trifluoromethoxy)phenyl] (E)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate
CID 59039923
N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
CID 145273685
1-buta-1,3-dien-2-yl-4-(trifluoromethoxy)benzene
CID 123349767
1-[(E)-1,2-difluoropent-1-enyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 22991314
4-[4-(trifluoromethoxy)phenyl]benzoate
CID 7016769

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene (CID 59133252) is 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene is F/C(Cl)=C(/F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene?
The InChIKey is OMPZDNUEFWYESO-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H4ClF5O/c10-8(12)7(11)5-1-3-6(4-2-5)16-9(13,14)15/h1-4H/b8-7+.
What are the key properties of 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene?
1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene has a molecular weight of 258.57 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 59133252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).