(2S)-1,1,2-trifluoropropane

C3H5F3 — CID 57131379

IUPAC(2S)-1,1,2-trifluoropropane
SMILESC[C@H](F)C(F)F
InChIInChI=1S/C3H5F3/c1-2(4)3(5)6/h2-3H,1H3/t2-/m0/s1
InChIKeyHHRQYHKSSIGXJV-REOHCLBHSA-N
MW98.07 g/mol
LogP1.61
Rot. Bonds1

About (2S)-1,1,2-trifluoropropane

(2S)-1,1,2-trifluoropropane (PubChem CID 57131379) has the molecular formula C3H5F3 and a molecular weight of 98.07 g/mol. Its IUPAC name is (2S)-1,1,2-trifluoropropane.

Molecular Properties

Compound Name(2S)-1,1,2-trifluoropropane
PubChem CID57131379
Molecular FormulaC3H5F3
Molecular Weight98.07 g/mol
Exact Mass98.03
IUPAC Name(2S)-1,1,2-trifluoropropane
SMILESC[C@H](F)C(F)F
InChIInChI=1S/C3H5F3/c1-2(4)3(5)6/h2-3H,1H3/t2-/m0/s1
InChIKeyHHRQYHKSSIGXJV-REOHCLBHSA-N
XLogP1.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.07
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1,1,2-trifluoropropane
CID 22325848
(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
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1,1-difluoroethane
CID 6368
gold;trifluoro(methyl)phosphanium
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(2R,3R)-2-fluoro-3,4-dimethylpentane
CID 163563398
pentakis(europium(3+));oxygen(2-);tridecakis(propan-2-olate)
CID 139133025
2,3,6,7-tetrafluorooctane
CID 90762432
2-hydroxyoxasilinane;1,1,2-trifluoropropane
CID 175004232
1-fluoroethanol;rutherfordium
CID 58987118
3-ethyl-2-fluoropentane
CID 144624740
1,1-difluoropropane;ethane;2-methylbutane
CID 176705110
1,1,2,3,5,5-hexafluoro-4-methylpentane
CID 138705307

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,2-trifluoropropane?
The IUPAC name of (2S)-1,1,2-trifluoropropane (CID 57131379) is (2S)-1,1,2-trifluoropropane.
What is the SMILES notation for (2S)-1,1,2-trifluoropropane?
The canonical SMILES for (2S)-1,1,2-trifluoropropane is C[C@H](F)C(F)F.
What is the InChIKey of (2S)-1,1,2-trifluoropropane?
The InChIKey is HHRQYHKSSIGXJV-REOHCLBHSA-N. The full InChI is InChI=1S/C3H5F3/c1-2(4)3(5)6/h2-3H,1H3/t2-/m0/s1.
What are the key properties of (2S)-1,1,2-trifluoropropane?
(2S)-1,1,2-trifluoropropane has a molecular weight of 98.07 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,2-trifluoropropane is sourced from PubChem (CID 57131379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).