1-chloro-3,5-difluorobenzene

C12H6Cl2F4 — CID 159732874

IUPAC1-chloro-3,5-difluorobenzene
SMILESFc1cc(F)cc(Cl)c1.Fc1cc(F)cc(Cl)c1
InChIInChI=1S/2C6H3ClF2/c2*7-4-1-5(8)3-6(9)2-4/h2*1-3H
InChIKeyNBLPMWGGHYPFEP-UHFFFAOYSA-N
MW297.08 g/mol
LogP5.24
Rot. Bonds

About 1-chloro-3,5-difluorobenzene

1-chloro-3,5-difluorobenzene (PubChem CID 159732874) has the molecular formula C12H6Cl2F4 and a molecular weight of 297.08 g/mol. Its IUPAC name is 1-chloro-3,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-3,5-difluorobenzene
PubChem CID159732874
Molecular FormulaC12H6Cl2F4
Molecular Weight297.08 g/mol
Exact Mass295.98
IUPAC Name1-chloro-3,5-difluorobenzene
SMILESFc1cc(F)cc(Cl)c1.Fc1cc(F)cc(Cl)c1
InChIInChI=1S/2C6H3ClF2/c2*7-4-1-5(8)3-6(9)2-4/h2*1-3H
InChIKeyNBLPMWGGHYPFEP-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.08
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 76522389
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
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O-(3-chloro-5-fluorophenyl)hydroxylamine
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3-chloro-5-(3-chloro-5-fluorophenyl)phenol
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(3-chloro-5-fluorophenyl)boronic acid;hydrochloride
CID 155898818
2-(3-chloro-5-fluorophenyl)propan-2-ol
CID 84661761
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
CID 130061869
(NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine
CID 114454695
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
[(3,5-dichlorophenyl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105301847
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-difluorobenzene?
The IUPAC name of 1-chloro-3,5-difluorobenzene (CID 159732874) is 1-chloro-3,5-difluorobenzene.
What is the SMILES notation for 1-chloro-3,5-difluorobenzene?
The canonical SMILES for 1-chloro-3,5-difluorobenzene is Fc1cc(F)cc(Cl)c1.Fc1cc(F)cc(Cl)c1.
What is the InChIKey of 1-chloro-3,5-difluorobenzene?
The InChIKey is NBLPMWGGHYPFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H3ClF2/c2*7-4-1-5(8)3-6(9)2-4/h2*1-3H.
What are the key properties of 1-chloro-3,5-difluorobenzene?
1-chloro-3,5-difluorobenzene has a molecular weight of 297.08 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-difluorobenzene is sourced from PubChem (CID 159732874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).