2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene

C16H13ClF4 — CID 20654125

IUPAC2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(F)c(C(F)(F)Cl)c(F)c2)cc1
InChIInChI=1S/C16H13ClF4/c1-2-3-10-4-6-11(7-5-10)12-8-13(18)15(14(19)9-12)16(17,20)21/h4-9H,2-3H2,1H3
InChIKeyICUBGEVWVMZWSK-UHFFFAOYSA-N
MW316.73 g/mol
LogP5.87
Rot. Bonds4

About 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene

2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene (PubChem CID 20654125) has the molecular formula C16H13ClF4 and a molecular weight of 316.73 g/mol. Its IUPAC name is 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
PubChem CID20654125
Molecular FormulaC16H13ClF4
Molecular Weight316.73 g/mol
Exact Mass316.06
IUPAC Name2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2cc(F)c(C(F)(F)Cl)c(F)c2)cc1
InChIInChI=1S/C16H13ClF4/c1-2-3-10-4-6-11(7-5-10)12-8-13(18)15(14(19)9-12)16(17,20)21/h4-9H,2-3H2,1H3
InChIKeyICUBGEVWVMZWSK-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.73
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 90179440
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654145
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
[4-[[2,6-difluoro-4-(4-propylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane
CID 130462382
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
2,6-difluoro-4-(4-propylphenyl)benzaldehyde
CID 22561373
1-bromo-2-fluoro-4-(4-propylphenyl)benzene
CID 19917644
lithium;2-[bromo(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;butane;1,1-dibromo-2,2-difluoroethene;1,3-difluoro-5-(4-propylphenyl)benzene
CID 159752416
2-[(3,5-difluoro-4-methylphenyl)-difluoromethoxy]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 118360414
[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]-trimethylsilane
CID 11002971
2-[[3,5-difluoro-4-(3,3,3-trifluoroprop-1-enoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 123260273

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene?
The IUPAC name of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene (CID 20654125) is 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene.
What is the SMILES notation for 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene?
The canonical SMILES for 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene is CCCc1ccc(-c2cc(F)c(C(F)(F)Cl)c(F)c2)cc1.
What is the InChIKey of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene?
The InChIKey is ICUBGEVWVMZWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4/c1-2-3-10-4-6-11(7-5-10)12-8-13(18)15(14(19)9-12)16(17,20)21/h4-9H,2-3H2,1H3.
What are the key properties of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene?
2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene has a molecular weight of 316.73 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene is sourced from PubChem (CID 20654125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).