1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane

C6H8Cl2F4O — CID 166522369

IUPAC1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane
SMILESFC(F)(CCl)COCC(F)(F)CCl
InChIInChI=1S/C6H8Cl2F4O/c7-1-5(9,10)3-13-4-6(11,12)2-8/h1-4H2
InChIKeyURRCLMGNUGWFBL-UHFFFAOYSA-N
MW243.03 g/mol
LogP2.75
Rot. Bonds6

About 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane

1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane (PubChem CID 166522369) has the molecular formula C6H8Cl2F4O and a molecular weight of 243.03 g/mol. Its IUPAC name is 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane.

Molecular Properties

Compound Name1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane
PubChem CID166522369
Molecular FormulaC6H8Cl2F4O
Molecular Weight243.03 g/mol
Exact Mass241.99
IUPAC Name1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane
SMILESFC(F)(CCl)COCC(F)(F)CCl
InChIInChI=1S/C6H8Cl2F4O/c7-1-5(9,10)3-13-4-6(11,12)2-8/h1-4H2
InChIKeyURRCLMGNUGWFBL-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane 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

3-[3-(2,2-difluoro-3-hydroxypropoxy)-2,2-difluoropropoxy]-2,2-difluoropropan-1-ol
CID 159983184
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
1-chloro-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentane
CID 66059966
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203788
1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 65026285
1-chloro-3-methyl-2-(2,2,2-trifluoroethoxymethyl)butane
CID 106706535
dimethyl 2-(chloromethyl)-2-fluoropropanedioate
CID 118607733
3-(4-chloro-3,3-difluorobutoxy)azetidine
CID 175192234
[1-chloro-2-(2,2,2-trifluoroethoxymethyl)butan-2-yl]benzene
CID 106706529
2-(2,2,4,4,4-pentafluorobutoxy)ethanol
CID 168876131

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane?
The IUPAC name of 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane (CID 166522369) is 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane.
What is the SMILES notation for 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane?
The canonical SMILES for 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane is FC(F)(CCl)COCC(F)(F)CCl.
What is the InChIKey of 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane?
The InChIKey is URRCLMGNUGWFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2F4O/c7-1-5(9,10)3-13-4-6(11,12)2-8/h1-4H2.
What are the key properties of 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane?
1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane has a molecular weight of 243.03 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloro-2,2-difluoropropoxy)-2,2-difluoropropane is sourced from PubChem (CID 166522369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).