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

C7H4ClF3 — CID 23325936

IUPAC1-chloro-2,3-difluoro-5-(fluoromethyl)benzene
SMILESFCc1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C7H4ClF3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-2H,3H2
InChIKeyJJIXQKKYZGGMEQ-UHFFFAOYSA-N
MW180.56 g/mol
LogP3.09
Rot. Bonds1

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

1-chloro-2,3-difluoro-5-(fluoromethyl)benzene (PubChem CID 23325936) has the molecular formula C7H4ClF3 and a molecular weight of 180.56 g/mol. Its IUPAC name is 1-chloro-2,3-difluoro-5-(fluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2,3-difluoro-5-(fluoromethyl)benzene
PubChem CID23325936
Molecular FormulaC7H4ClF3
Molecular Weight180.56 g/mol
Exact Mass180.00
IUPAC Name1-chloro-2,3-difluoro-5-(fluoromethyl)benzene
SMILESFCc1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C7H4ClF3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-2H,3H2
InChIKeyJJIXQKKYZGGMEQ-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.56
LogP ≤ 53.09
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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Related Compounds

1-chloro-3-fluoro-5-(fluoromethyl)-2-methylbenzene
CID 131073233
2-(3-chloro-4,5-difluorophenyl)ethanamine
CID 117282784
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117306416
1,3,5-tris(fluoromethyl)benzene
CID 91293384
2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol
CID 84672949
3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene
CID 151451275
[2-chloro-4-(fluoromethyl)phenyl]hydrazine
CID 118818810
3-chloro-4,5-difluoro-N-oxidoaniline
CID 149156219
3-chloro-4,5-difluorobenzoyl fluoride
CID 19850493
3-[2,3-difluoro-5-(fluoromethyl)phenyl]butanal
CID 117307817
[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine
CID 114275253

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-difluoro-5-(fluoromethyl)benzene?
The IUPAC name of 1-chloro-2,3-difluoro-5-(fluoromethyl)benzene (CID 23325936) is 1-chloro-2,3-difluoro-5-(fluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2,3-difluoro-5-(fluoromethyl)benzene?
The canonical SMILES for 1-chloro-2,3-difluoro-5-(fluoromethyl)benzene is FCc1cc(F)c(F)c(Cl)c1.
What is the InChIKey of 1-chloro-2,3-difluoro-5-(fluoromethyl)benzene?
The InChIKey is JJIXQKKYZGGMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-2H,3H2.
What are the key properties of 1-chloro-2,3-difluoro-5-(fluoromethyl)benzene?
1-chloro-2,3-difluoro-5-(fluoromethyl)benzene has a molecular weight of 180.56 g/mol, XLogP of 3.09, 1 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-(fluoromethyl)benzene is sourced from PubChem (CID 23325936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).