1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene

C7H4Cl2F2 — CID 118830415

IUPAC1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
SMILESFCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C7H4Cl2F2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2H,3H2
InChIKeyZDTINSMQLPJCPQ-UHFFFAOYSA-N
MW197.01 g/mol
LogP3.60
Rot. Bonds1

About 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene

1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene (PubChem CID 118830415) has the molecular formula C7H4Cl2F2 and a molecular weight of 197.01 g/mol. Its IUPAC name is 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
PubChem CID118830415
Molecular FormulaC7H4Cl2F2
Molecular Weight197.01 g/mol
Exact Mass195.97
IUPAC Name1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
SMILESFCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C7H4Cl2F2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2H,3H2
InChIKeyZDTINSMQLPJCPQ-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.01
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dichloro-3-fluorophenyl)methyl]phenol
CID 175432129
(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethanamine
CID 124707711
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
CID 130776716
1-[(2,6-dichloro-3-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385518
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
2-bromo-1,3-dichloro-4-fluorobenzene
CID 19779824
1-chloro-2-fluoro-3-(fluoromethyl)-4-methylbenzene
CID 118811534
1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene
CID 131574460
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233
1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206
(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 130709750
2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 131211507

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene?
The IUPAC name of 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene (CID 118830415) is 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene?
The canonical SMILES for 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene is FCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene?
The InChIKey is ZDTINSMQLPJCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2H,3H2.
What are the key properties of 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene?
1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene has a molecular weight of 197.01 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene is sourced from PubChem (CID 118830415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).