2,4-dichloro-1-(2,2-difluoroethoxy)benzene

C8H6Cl2F2O — CID 57262164

IUPAC2,4-dichloro-1-(2,2-difluoroethoxy)benzene
SMILESFC(F)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2F2O/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,8H,4H2
InChIKeyXFZYGYYAMBGJPP-UHFFFAOYSA-N
MW227.04 g/mol
LogP3.64
Rot. Bonds3

About 2,4-dichloro-1-(2,2-difluoroethoxy)benzene

2,4-dichloro-1-(2,2-difluoroethoxy)benzene (PubChem CID 57262164) has the molecular formula C8H6Cl2F2O and a molecular weight of 227.04 g/mol. Its IUPAC name is 2,4-dichloro-1-(2,2-difluoroethoxy)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(2,2-difluoroethoxy)benzene
PubChem CID57262164
Molecular FormulaC8H6Cl2F2O
Molecular Weight227.04 g/mol
Exact Mass225.98
IUPAC Name2,4-dichloro-1-(2,2-difluoroethoxy)benzene
SMILESFC(F)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2F2O/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,8H,4H2
InChIKeyXFZYGYYAMBGJPP-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile
CID 103368257
N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567
(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol
CID 125466536
4-chloro-2-(2,2-difluoroethoxy)benzoic acid
CID 61379224
5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
CID 82004072
2,4-dichloro-1-[2-(4-fluorophenoxy)propoxy]benzene
CID 57170883
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol
CID 19981788
3-[5-chloro-2-(2,2-difluoroethoxy)anilino]propane-1,2-diol
CID 168594806
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898363
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(2,2-difluoroethoxy)benzene?
The IUPAC name of 2,4-dichloro-1-(2,2-difluoroethoxy)benzene (CID 57262164) is 2,4-dichloro-1-(2,2-difluoroethoxy)benzene.
What is the SMILES notation for 2,4-dichloro-1-(2,2-difluoroethoxy)benzene?
The canonical SMILES for 2,4-dichloro-1-(2,2-difluoroethoxy)benzene is FC(F)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(2,2-difluoroethoxy)benzene?
The InChIKey is XFZYGYYAMBGJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2O/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3,8H,4H2.
What are the key properties of 2,4-dichloro-1-(2,2-difluoroethoxy)benzene?
2,4-dichloro-1-(2,2-difluoroethoxy)benzene has a molecular weight of 227.04 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(2,2-difluoroethoxy)benzene is sourced from PubChem (CID 57262164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).