(3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane

C5H2F10 — CID 97292221

IUPAC(3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane
SMILESF[C@@H]([C@H](F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H/t1-,2-/m0/s1
InChIKeyRIQRGMUSBYGDBL-LWMBPPNESA-N
MW252.05 g/mol
LogP3.42
Rot. Bonds2

About (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane

(3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane (PubChem CID 97292221) has the molecular formula C5H2F10 and a molecular weight of 252.05 g/mol. Its IUPAC name is (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane.

Molecular Properties

Compound Name(3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane
PubChem CID97292221
Molecular FormulaC5H2F10
Molecular Weight252.05 g/mol
Exact Mass252.00
IUPAC Name(3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane
SMILESF[C@@H]([C@H](F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H/t1-,2-/m0/s1
InChIKeyRIQRGMUSBYGDBL-LWMBPPNESA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane?
The IUPAC name of (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane (CID 97292221) is (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane.
What is the SMILES notation for (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane?
The canonical SMILES for (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane is F[C@@H]([C@H](F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane?
The InChIKey is RIQRGMUSBYGDBL-LWMBPPNESA-N. The full InChI is InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H/t1-,2-/m0/s1.
What are the key properties of (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane?
(3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane has a molecular weight of 252.05 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane is sourced from PubChem (CID 97292221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).