methane;1,1,2-trifluoropropane

C4H9F3 — CID 22325848

IUPACmethane;1,1,2-trifluoropropane
SMILESC.CC(F)C(F)F
InChIInChI=1S/C3H5F3.CH4/c1-2(4)3(5)6;/h2-3H,1H3;1H4
InChIKeyIQJFWAMWPDAXKY-UHFFFAOYSA-N
MW114.11 g/mol
LogP2.25
Rot. Bonds1

About methane;1,1,2-trifluoropropane

methane;1,1,2-trifluoropropane (PubChem CID 22325848) has the molecular formula C4H9F3 and a molecular weight of 114.11 g/mol. Its IUPAC name is methane;1,1,2-trifluoropropane.

Molecular Properties

Compound Namemethane;1,1,2-trifluoropropane
PubChem CID22325848
Molecular FormulaC4H9F3
Molecular Weight114.11 g/mol
Exact Mass114.07
IUPAC Namemethane;1,1,2-trifluoropropane
SMILESC.CC(F)C(F)F
InChIInChI=1S/C3H5F3.CH4/c1-2(4)3(5)6;/h2-3H,1H3;1H4
InChIKeyIQJFWAMWPDAXKY-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,3,3-Pentafluorobutane
CID 67884
2,2-Difluorobutane
CID 520729
1,1,1-Trifluorohexane
CID 14111647
2,2-Difluoropentane
CID 520839
1,1-Difluorohexane
CID 12776646
3,3-Difluoropentane
CID 13459596
1,1,1-Trifluorobutane
CID 14512801
1,2-Difluorobutane
CID 21922267
1,1,1,2,2-Pentafluorobutane
CID 19980372
1,1,1-Trifluoropentane
CID 228005
1,1,1-Trifluoro-2,2-dimethylpropane
CID 12025748
2,2-Difluorohexane
CID 12545904

Frequently Asked Questions

What is the IUPAC name of methane;1,1,2-trifluoropropane?
The IUPAC name of methane;1,1,2-trifluoropropane (CID 22325848) is methane;1,1,2-trifluoropropane.
What is the SMILES notation for methane;1,1,2-trifluoropropane?
The canonical SMILES for methane;1,1,2-trifluoropropane is C.CC(F)C(F)F.
What is the InChIKey of methane;1,1,2-trifluoropropane?
The InChIKey is IQJFWAMWPDAXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3.CH4/c1-2(4)3(5)6;/h2-3H,1H3;1H4.
What are the key properties of methane;1,1,2-trifluoropropane?
methane;1,1,2-trifluoropropane has a molecular weight of 114.11 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,2-trifluoropropane is sourced from PubChem (CID 22325848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).