2-chloro-1,4-bis(trifluoromethyl)benzene

C8H3ClF6 — CID 619189

IUPAC2-chloro-1,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H3ClF6/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H
InChIKeyIDNVTCBYGYOPKJ-UHFFFAOYSA-N
MW248.55 g/mol
LogP4.38
Rot. Bonds

About 2-chloro-1,4-bis(trifluoromethyl)benzene

2-chloro-1,4-bis(trifluoromethyl)benzene (PubChem CID 619189) has the molecular formula C8H3ClF6 and a molecular weight of 248.55 g/mol. Its IUPAC name is 2-chloro-1,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1,4-bis(trifluoromethyl)benzene
PubChem CID619189
Molecular FormulaC8H3ClF6
Molecular Weight248.55 g/mol
Exact Mass247.98
IUPAC Name2-chloro-1,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H3ClF6/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H
InChIKeyIDNVTCBYGYOPKJ-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4-bis(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1,4-bis(trifluoromethyl)benzene (CID 619189) is 2-chloro-1,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1,4-bis(trifluoromethyl)benzene is FC(F)(F)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-1,4-bis(trifluoromethyl)benzene?
The InChIKey is IDNVTCBYGYOPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H.
What are the key properties of 2-chloro-1,4-bis(trifluoromethyl)benzene?
2-chloro-1,4-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 2-chloro-1,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 619189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).