(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane

C5H3F9 — CID 97291038

IUPAC(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
SMILESF[C@@H](CC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9/c6-2(1-3(7,8)9)4(10,11)5(12,13)14/h2H,1H2/t2-/m0/s1
InChIKeyODOQEDLJVNKDMU-REOHCLBHSA-N
MW234.06 g/mol
LogP3.47
Rot. Bonds2

About (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane

(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane (PubChem CID 97291038) has the molecular formula C5H3F9 and a molecular weight of 234.06 g/mol. Its IUPAC name is (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane.

Molecular Properties

Compound Name(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
PubChem CID97291038
Molecular FormulaC5H3F9
Molecular Weight234.06 g/mol
Exact Mass234.01
IUPAC Name(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
SMILESF[C@@H](CC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9/c6-2(1-3(7,8)9)4(10,11)5(12,13)14/h2H,1H2/t2-/m0/s1
InChIKeyODOQEDLJVNKDMU-REOHCLBHSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.06
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane
CID 175358537
1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane
CID 171647533
1,1,2,4,4,4-hexafluorobutan-1-amine
CID 156717565
1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane
CID 141085282
(3,3,4,6,6,6-hexafluoro-2-methylhexan-2-yl)phosphonic acid
CID 150136088
1,1,1,2,2,3-hexafluoropentane;zirconium(2+)
CID 19359359
2-ethoxy-1,1,1,2,3,5,5,5-octafluoropentane
CID 58114509
dimethoxy(1,1,2,2,3,3,4,4,5,5,6,8,8,8-tetradecafluorooctyl)silane
CID 175373175
2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate
CID 175336561
CID 167434962
CID 167434962
trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane
CID 177311634
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecane-1-sulfonate
CID 141492156

Frequently Asked Questions

What is the IUPAC name of (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane?
The IUPAC name of (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane (CID 97291038) is (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane.
What is the SMILES notation for (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane?
The canonical SMILES for (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane is F[C@@H](CC(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane?
The InChIKey is ODOQEDLJVNKDMU-REOHCLBHSA-N. The full InChI is InChI=1S/C5H3F9/c6-2(1-3(7,8)9)4(10,11)5(12,13)14/h2H,1H2/t2-/m0/s1.
What are the key properties of (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane?
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane has a molecular weight of 234.06 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane is sourced from PubChem (CID 97291038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).