1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene

C8H6ClF3O — CID 130501614

IUPAC1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
SMILESFc1ccc(Cl)c(OCC(F)F)c1
InChIInChI=1S/C8H6ClF3O/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3,8H,4H2
InChIKeyKGADKXHJTWECHQ-UHFFFAOYSA-N
MW210.58 g/mol
LogP3.12
Rot. Bonds3

About 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene

1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene (PubChem CID 130501614) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
PubChem CID130501614
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
SMILESFc1ccc(Cl)c(OCC(F)F)c1
InChIInChI=1S/C8H6ClF3O/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3,8H,4H2
InChIKeyKGADKXHJTWECHQ-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 59761877
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 124625807
2-(2-chloro-5-fluorophenoxy)acetonitrile
CID 91656530
1-chloro-4-fluoro-2-prop-2-ynoxybenzene
CID 22482803
1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
CID 114264292
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene
CID 107699186
2-acetamido-3-(2-chloro-5-fluorophenoxy)propanoic acid
CID 114264196
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene?
The IUPAC name of 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene (CID 130501614) is 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene.
What is the SMILES notation for 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene?
The canonical SMILES for 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene is Fc1ccc(Cl)c(OCC(F)F)c1.
What is the InChIKey of 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene?
The InChIKey is KGADKXHJTWECHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3,8H,4H2.
What are the key properties of 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene?
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene has a molecular weight of 210.58 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene is sourced from PubChem (CID 130501614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).