1-chloro-1,1,2,3,3,3-hexafluoropropane

C3HClF6 — CID 2783403

IUPAC1-chloro-1,1,2,3,3,3-hexafluoropropane
SMILESFC(C(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C3HClF6/c4-2(6,7)1(5)3(8,9)10/h1H
InChIKeyJODPGPKOJGDHSV-UHFFFAOYSA-N
MW186.48 g/mol
LogP2.72
Rot. Bonds1

About 1-chloro-1,1,2,3,3,3-hexafluoropropane

1-chloro-1,1,2,3,3,3-hexafluoropropane (PubChem CID 2783403) has the molecular formula C3HClF6 and a molecular weight of 186.48 g/mol. Its IUPAC name is 1-chloro-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-chloro-1,1,2,3,3,3-hexafluoropropane
PubChem CID2783403
Molecular FormulaC3HClF6
Molecular Weight186.48 g/mol
Exact Mass185.97
IUPAC Name1-chloro-1,1,2,3,3,3-hexafluoropropane
SMILESFC(C(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C3HClF6/c4-2(6,7)1(5)3(8,9)10/h1H
InChIKeyJODPGPKOJGDHSV-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.48
LogP ≤ 52.72
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-Chloro-1,1,2,2-tetrafluoroethane
CID 9632
Propane, 1,1-dichloro-1,3,3,3-tetrafluoro-
CID 116662
Propane, 1-chloro-1,1,2,2,3,3,3-heptafluoro-
CID 61113
Butane, 1-chloro-1,1,2,2,3,3,4,4-octafluoro-
CID 2736630
3-Chloro-1,1,2,2-tetrafluoropropane
CID 120319
1-Chloro-1,1,2,2,3,3-hexafluoropropane
CID 67910
1-Chloro-1,1,3,3,3-pentafluoropropane
CID 68031
Propane, 2-chloro-1,1,1,2-tetrafluoro-
CID 20453893
3-Chloro-1,1,1,2,2-Pentafluoropropane
CID 67905
1-Chloro-1,2,2,3,3-pentafluoropropane
CID 102464
1,2-Dichloro-1,1,2,3,3-pentafluoropropane
CID 61110
1,1-Dichloro-1,2,2,3,3-pentafluoropropane
CID 61627

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-chloro-1,1,2,3,3,3-hexafluoropropane (CID 2783403) is 1-chloro-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-chloro-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-chloro-1,1,2,3,3,3-hexafluoropropane is FC(C(F)(F)F)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is JODPGPKOJGDHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF6/c4-2(6,7)1(5)3(8,9)10/h1H.
What are the key properties of 1-chloro-1,1,2,3,3,3-hexafluoropropane?
1-chloro-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 186.48 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 2783403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).