1-chloro-1,1-difluoropropane;trichloro(fluoro)methane

C4H5Cl4F3 — CID 135365106

IUPAC1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
SMILESCCC(F)(F)Cl.FC(Cl)(Cl)Cl
InChIInChI=1S/C3H5ClF2.CCl3F/c1-2-3(4,5)6;2-1(3,4)5/h2H2,1H3;
InChIKeyIHVQTMNYJBVHJS-UHFFFAOYSA-N
MW251.89 g/mol
LogP4.51
Rot. Bonds1

About 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane

1-chloro-1,1-difluoropropane;trichloro(fluoro)methane (PubChem CID 135365106) has the molecular formula C4H5Cl4F3 and a molecular weight of 251.89 g/mol. Its IUPAC name is 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane.

Molecular Properties

Compound Name1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
PubChem CID135365106
Molecular FormulaC4H5Cl4F3
Molecular Weight251.89 g/mol
Exact Mass249.91
IUPAC Name1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
SMILESCCC(F)(F)Cl.FC(Cl)(Cl)Cl
InChIInChI=1S/C3H5ClF2.CCl3F/c1-2-3(4,5)6;2-1(3,4)5/h2H2,1H3;
InChIKeyIHVQTMNYJBVHJS-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.89
LogP ≤ 54.51
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

1,1,3-Trichloro-1,3-difluorobutane
CID 11252596
1,1,1-Trichloro-4,4,4-trifluorobutane
CID 15688016
1,1,4,4-Tetrachloro-1,4-difluorobutane
CID 19764101
1,2-Dichloro-1,1,2-trifluoropropane;2,2-dichloro-1,1,3-trifluoropropane
CID 19786091
1,1,4-Trichloro-1,4,4-trifluorobutane
CID 19817337
2,2-Dichloro-1,1,1-trifluorobutane
CID 21692555
2,2-Dichloro-1,1,1-trifluoropentane
CID 21692556
1,1,1-Trichloro-3,3,3-trifluoro-2-methylpropane
CID 21852507
3,3-Dichloro-1,1-difluorobutane
CID 21852510
1,1,1,3-Tetrachloro-3-fluorobutane
CID 22027027
1,1-Dichloro-1,3,3-trifluorobutane
CID 22027030
1,1,1-Trichloro-3,3-difluorobutane
CID 22027031

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane?
The IUPAC name of 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane (CID 135365106) is 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane.
What is the SMILES notation for 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane?
The canonical SMILES for 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane is CCC(F)(F)Cl.FC(Cl)(Cl)Cl.
What is the InChIKey of 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane?
The InChIKey is IHVQTMNYJBVHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2.CCl3F/c1-2-3(4,5)6;2-1(3,4)5/h2H2,1H3;.
What are the key properties of 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane?
1-chloro-1,1-difluoropropane;trichloro(fluoro)methane has a molecular weight of 251.89 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoropropane;trichloro(fluoro)methane is sourced from PubChem (CID 135365106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).