1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene

C11H13ClF2 — CID 116991930

IUPAC1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene
SMILESCCC(F)(F)c1ccc(CCCl)cc1
InChIInChI=1S/C11H13ClF2/c1-2-11(13,14)10-5-3-9(4-6-10)7-8-12/h3-6H,2,7-8H2,1H3
InChIKeyIOSCTZXFKWCKMP-UHFFFAOYSA-N
MW218.67 g/mol
LogP3.97
Rot. Bonds4

About 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene

1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene (PubChem CID 116991930) has the molecular formula C11H13ClF2 and a molecular weight of 218.67 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene
PubChem CID116991930
Molecular FormulaC11H13ClF2
Molecular Weight218.67 g/mol
Exact Mass218.07
IUPAC Name1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene
SMILESCCC(F)(F)c1ccc(CCCl)cc1
InChIInChI=1S/C11H13ClF2/c1-2-11(13,14)10-5-3-9(4-6-10)7-8-12/h3-6H,2,7-8H2,1H3
InChIKeyIOSCTZXFKWCKMP-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.67
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine
CID 116991893
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine
CID 116991904
4-(1,1-difluoropropyl)benzenesulfonyl chloride
CID 87189843
methyl 2-[4-(1,1-difluoropropyl)phenyl]acetate
CID 116991957
3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine
CID 116991916
1-(1,1-difluoropropyl)-4-ethylsulfonylbenzene
CID 116841298
3,3-difluoro-3-(4-propylphenyl)propanoic acid
CID 116838337
3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
CID 116838654
4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline
CID 116991923
1-(chloromethyl)-4-(1,1-difluoro-3-methylbutyl)benzene
CID 116992261
1-(4-chloro-2-methylbutan-2-yl)-4-propylbenzene
CID 79837445

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene?
The IUPAC name of 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene (CID 116991930) is 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene.
What is the SMILES notation for 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene?
The canonical SMILES for 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene is CCC(F)(F)c1ccc(CCCl)cc1.
What is the InChIKey of 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene?
The InChIKey is IOSCTZXFKWCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2/c1-2-11(13,14)10-5-3-9(4-6-10)7-8-12/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene?
1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene has a molecular weight of 218.67 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene is sourced from PubChem (CID 116991930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).