1-chloro-3,5-bis(trifluoromethyl)benzene

C8H3ClF6 — CID 2769405

IUPAC1-chloro-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C8H3ClF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKeyOXMBWPJFVUPOFO-UHFFFAOYSA-N
MW248.55 g/mol
LogP4.38
Rot. Bonds

About 1-chloro-3,5-bis(trifluoromethyl)benzene

1-chloro-3,5-bis(trifluoromethyl)benzene (PubChem CID 2769405) has the molecular formula C8H3ClF6 and a molecular weight of 248.55 g/mol. Its IUPAC name is 1-chloro-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3,5-bis(trifluoromethyl)benzene
PubChem CID2769405
Molecular FormulaC8H3ClF6
Molecular Weight248.55 g/mol
Exact Mass247.98
IUPAC Name1-chloro-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C8H3ClF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKeyOXMBWPJFVUPOFO-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
[3-chloro-5-(trifluoromethyl)phenyl]-trifluoroboranuide
CID 116700642
3-chloro-5-(trifluoromethyl)benzenediazonium
CID 86145286
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
1-chloro-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-enyl)benzene
CID 123239605
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
formyl chloride;1,3,5-tris(trifluoromethyl)benzene
CID 174890856
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform
CID 156612938
N-[3-chloro-5-(trifluoromethyl)phenoxy]methanamine
CID 134433954
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3,5-bis(trifluoromethyl)benzene (CID 2769405) is 1-chloro-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-chloro-3,5-bis(trifluoromethyl)benzene?
The InChIKey is OXMBWPJFVUPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H.
What are the key properties of 1-chloro-3,5-bis(trifluoromethyl)benzene?
1-chloro-3,5-bis(trifluoromethyl)benzene has a molecular weight of 248.55 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 2769405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).