1-chloro-4-[difluoro(phenyl)methyl]benzene

C13H9ClF2 — CID 15643484

IUPAC1-chloro-4-[difluoro(phenyl)methyl]benzene
SMILESFC(F)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClF2/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H
InChIKeyKMSOPMHLUSDYJQ-UHFFFAOYSA-N
MW238.66 g/mol
LogP4.48
Rot. Bonds2

About 1-chloro-4-[difluoro(phenyl)methyl]benzene

1-chloro-4-[difluoro(phenyl)methyl]benzene (PubChem CID 15643484) has the molecular formula C13H9ClF2 and a molecular weight of 238.66 g/mol. Its IUPAC name is 1-chloro-4-[difluoro(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[difluoro(phenyl)methyl]benzene
PubChem CID15643484
Molecular FormulaC13H9ClF2
Molecular Weight238.66 g/mol
Exact Mass238.04
IUPAC Name1-chloro-4-[difluoro(phenyl)methyl]benzene
SMILESFC(F)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClF2/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H
InChIKeyKMSOPMHLUSDYJQ-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.66
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 6294
CID 6294
CID 3036
CID 3036
CID 3035
CID 3035
CID 13089
CID 13089
CID 7394
CID 7394
CID 246598
CID 246598
CID 249266
CID 249266
CID 16322
CID 16322
CID 16307
CID 16307
CID 16323
CID 16323
CID 25622
CID 25622
CID 36982
CID 36982

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[difluoro(phenyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[difluoro(phenyl)methyl]benzene (CID 15643484) is 1-chloro-4-[difluoro(phenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[difluoro(phenyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[difluoro(phenyl)methyl]benzene is FC(F)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[difluoro(phenyl)methyl]benzene?
The InChIKey is KMSOPMHLUSDYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2/c14-12-8-6-11(7-9-12)13(15,16)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-chloro-4-[difluoro(phenyl)methyl]benzene?
1-chloro-4-[difluoro(phenyl)methyl]benzene has a molecular weight of 238.66 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[difluoro(phenyl)methyl]benzene is sourced from PubChem (CID 15643484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).