2-(1-chloroethyl)-1,4-difluorobenzene

C8H7ClF2 — CID 43114942

IUPAC2-(1-chloroethyl)-1,4-difluorobenzene
SMILESCC(Cl)c1cc(F)ccc1F
InChIInChI=1S/C8H7ClF2/c1-5(9)7-4-6(10)2-3-8(7)11/h2-5H,1H3
InChIKeyDFFTXOUCFUGLBW-UHFFFAOYSA-N
MW176.59 g/mol
LogP3.26
Rot. Bonds1

About 2-(1-chloroethyl)-1,4-difluorobenzene

2-(1-chloroethyl)-1,4-difluorobenzene (PubChem CID 43114942) has the molecular formula C8H7ClF2 and a molecular weight of 176.59 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1,4-difluorobenzene.

Molecular Properties

Compound Name2-(1-chloroethyl)-1,4-difluorobenzene
PubChem CID43114942
Molecular FormulaC8H7ClF2
Molecular Weight176.59 g/mol
Exact Mass176.02
IUPAC Name2-(1-chloroethyl)-1,4-difluorobenzene
SMILESCC(Cl)c1cc(F)ccc1F
InChIInChI=1S/C8H7ClF2/c1-5(9)7-4-6(10)2-3-8(7)11/h2-5H,1H3
InChIKeyDFFTXOUCFUGLBW-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.59
LogP ≤ 53.26
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-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
2-(1-chloro-2-methylbutyl)-1,4-difluorobenzene
CID 61086565
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
CID 63429945
2-(1-chloroprop-2-enyl)-1,4-difluorobenzene
CID 69215793
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
2-(1-chloro-2,2-dimethylbutyl)-1,4-difluorobenzene
CID 63430243
1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 160709728
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
2-bromo-1-(2,5-difluorophenyl)propan-1-ol
CID 116863317

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1,4-difluorobenzene?
The IUPAC name of 2-(1-chloroethyl)-1,4-difluorobenzene (CID 43114942) is 2-(1-chloroethyl)-1,4-difluorobenzene.
What is the SMILES notation for 2-(1-chloroethyl)-1,4-difluorobenzene?
The canonical SMILES for 2-(1-chloroethyl)-1,4-difluorobenzene is CC(Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-(1-chloroethyl)-1,4-difluorobenzene?
The InChIKey is DFFTXOUCFUGLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2/c1-5(9)7-4-6(10)2-3-8(7)11/h2-5H,1H3.
What are the key properties of 2-(1-chloroethyl)-1,4-difluorobenzene?
2-(1-chloroethyl)-1,4-difluorobenzene has a molecular weight of 176.59 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1,4-difluorobenzene is sourced from PubChem (CID 43114942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).