1,1,1,3,3,3-hexafluoropropane

C3H2F6 — CID 12722

IUPAC1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2
InChIKeyNSGXIBWMJZWTPY-UHFFFAOYSA-N
MW152.04 g/mol
LogP2.50
Rot. Bonds

About 1,1,1,3,3,3-hexafluoropropane

1,1,1,3,3,3-hexafluoropropane (PubChem CID 12722) has the molecular formula C3H2F6 and a molecular weight of 152.04 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropane
PubChem CID12722
Molecular FormulaC3H2F6
Molecular Weight152.04 g/mol
Exact Mass152.01
IUPAC Name1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2
InChIKeyNSGXIBWMJZWTPY-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.04
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,2-Tetrafluoroethane
CID 13129
1,1,1,2,3,3,3-Heptafluoropropane
CID 67940
Pentafluoroethane
CID 9633
1,1,1,3,3-Pentafluoropropane
CID 68030
1,1,1,2,3,3-Hexafluoropropane
CID 79009
1H-perfluorobutane
CID 2775798
1,1,1,2,2-Pentafluoropropane
CID 15747
1,1,2,2-Tetrafluoroethane
CID 9667
Heptafluoropropane
CID 62442
1,1,2,2,3-Pentafluoropropane
CID 69624
1,1,1,2,3-Pentafluoropropane
CID 164598
Pentafluoroethane-d1
CID 59129850

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropane (CID 12722) is 1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropane is FC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropane?
The InChIKey is NSGXIBWMJZWTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropane?
1,1,1,3,3,3-hexafluoropropane has a molecular weight of 152.04 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 12722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).