1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane

C4H4Cl4F6 — CID 157380637

IUPAC1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
SMILESCC(F)(F)Cl.FC(F)(Cl)Cl.FC(F)Cl
InChIInChI=1S/C2H3ClF2.CCl2F2.CHClF2/c1-2(3,4)5;2-1(3,4)5;2-1(3)4/h1H3;;1H
InChIKeyBKVNQAVVTCKGLE-UHFFFAOYSA-N
MW307.88 g/mol
LogP5.30
Rot. Bonds

About 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane

1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane (PubChem CID 157380637) has the molecular formula C4H4Cl4F6 and a molecular weight of 307.88 g/mol. Its IUPAC name is 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane.

Molecular Properties

Compound Name1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
PubChem CID157380637
Molecular FormulaC4H4Cl4F6
Molecular Weight307.88 g/mol
Exact Mass305.90
IUPAC Name1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
SMILESCC(F)(F)Cl.FC(F)(Cl)Cl.FC(F)Cl
InChIInChI=1S/C2H3ClF2.CCl2F2.CHClF2/c1-2(3,4)5;2-1(3,4)5;2-1(3)4/h1H3;;1H
InChIKeyBKVNQAVVTCKGLE-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.88
LogP ≤ 55.30
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

chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
1-chloro-1,1-difluoroethane;hydrate
CID 22410972
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
chloro(difluoro)methane
CID 102425690
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
2-chloro-2-fluoro-3-methylbutane
CID 88897527
1,2-dichloro-1,2-difluoro-3-methylbutane
CID 56617093
1-bromo-1-chloro-1-fluoroethane
CID 57450899
3-chloro-2-(difluoromethyl)-1,1,1,3-tetrafluorobutane
CID 19781242

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane?
The IUPAC name of 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane (CID 157380637) is 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane.
What is the SMILES notation for 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane?
The canonical SMILES for 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane is CC(F)(F)Cl.FC(F)(Cl)Cl.FC(F)Cl.
What is the InChIKey of 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane?
The InChIKey is BKVNQAVVTCKGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClF2.CCl2F2.CHClF2/c1-2(3,4)5;2-1(3,4)5;2-1(3)4/h1H3;;1H.
What are the key properties of 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane?
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane has a molecular weight of 307.88 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane is sourced from PubChem (CID 157380637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).