1,2-difluoro-4-(trifluoromethyl)benzene

C7H3F5 — CID 602797

IUPAC1,2-difluoro-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C7H3F5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKeyMVCGQTYWLZSKSB-UHFFFAOYSA-N
MW182.09 g/mol
LogP2.98
Rot. Bonds

About 1,2-difluoro-4-(trifluoromethyl)benzene

1,2-difluoro-4-(trifluoromethyl)benzene (PubChem CID 602797) has the molecular formula C7H3F5 and a molecular weight of 182.09 g/mol. Its IUPAC name is 1,2-difluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(trifluoromethyl)benzene
PubChem CID602797
Molecular FormulaC7H3F5
Molecular Weight182.09 g/mol
Exact Mass182.02
IUPAC Name1,2-difluoro-4-(trifluoromethyl)benzene
SMILESFc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C7H3F5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKeyMVCGQTYWLZSKSB-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.09
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1,2-difluoro-4-(trifluoromethyl)benzene (CID 602797) is 1,2-difluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(trifluoromethyl)benzene is Fc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 1,2-difluoro-4-(trifluoromethyl)benzene?
The InChIKey is MVCGQTYWLZSKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H.
What are the key properties of 1,2-difluoro-4-(trifluoromethyl)benzene?
1,2-difluoro-4-(trifluoromethyl)benzene has a molecular weight of 182.09 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 602797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).