1-chloro-3-fluoro-5-(trifluoromethyl)benzene

C7H3ClF4 — CID 19612353

IUPAC1-chloro-3-fluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H3ClF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChIKeyKLZMNQRDDPSCLS-UHFFFAOYSA-N
MW198.55 g/mol
LogP3.50
Rot. Bonds

About 1-chloro-3-fluoro-5-(trifluoromethyl)benzene

1-chloro-3-fluoro-5-(trifluoromethyl)benzene (PubChem CID 19612353) has the molecular formula C7H3ClF4 and a molecular weight of 198.55 g/mol. Its IUPAC name is 1-chloro-3-fluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-5-(trifluoromethyl)benzene
PubChem CID19612353
Molecular FormulaC7H3ClF4
Molecular Weight198.55 g/mol
Exact Mass197.99
IUPAC Name1-chloro-3-fluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C7H3ClF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChIKeyKLZMNQRDDPSCLS-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
2-(3-chloro-5-fluorophenyl)propan-2-ol
CID 84661761
1-chloro-3,5-difluorobenzene
CID 159732874
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
2-(3-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 117291187
[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide
CID 116700642
3-chloro-5-(trifluoromethyl)benzenediazonium
CID 86145286
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
(Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol
CID 177496147
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102
N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 107371209

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-5-(trifluoromethyl)benzene (CID 19612353) is 1-chloro-3-fluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-5-(trifluoromethyl)benzene is Fc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-chloro-3-fluoro-5-(trifluoromethyl)benzene?
The InChIKey is KLZMNQRDDPSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H.
What are the key properties of 1-chloro-3-fluoro-5-(trifluoromethyl)benzene?
1-chloro-3-fluoro-5-(trifluoromethyl)benzene has a molecular weight of 198.55 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 19612353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).