1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene

C7H2ClF5 — CID 2736496

IUPAC1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C7H2ClF5/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKeyRZMVFJHGONCXQR-UHFFFAOYSA-N
MW216.54 g/mol
LogP3.64
Rot. Bonds

About 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene

1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene (PubChem CID 2736496) has the molecular formula C7H2ClF5 and a molecular weight of 216.54 g/mol. Its IUPAC name is 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene
PubChem CID2736496
Molecular FormulaC7H2ClF5
Molecular Weight216.54 g/mol
Exact Mass215.98
IUPAC Name1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C7H2ClF5/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKeyRZMVFJHGONCXQR-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene (CID 2736496) is 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)cc(Cl)c1F.
What is the InChIKey of 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene?
The InChIKey is RZMVFJHGONCXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF5/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H.
What are the key properties of 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene?
1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene has a molecular weight of 216.54 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene is sourced from PubChem (CID 2736496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).