(9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene

C15H20F10O2 — CID 54475859

IUPAC(9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene
SMILESC=CCCCCCC[C@H](F)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C15H20F10O2/c1-2-3-4-5-6-7-8-11(16)9-26-10-12(17,18)14(22,23)27-15(24,25)13(19,20)21/h2,11H,1,3-10H2/t11-/m0/s1
InChIKeyXLNJBBIQBSJHOM-NSHDSACASA-N
MW422.30 g/mol
LogP6.27
Rot. Bonds14

About (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene

(9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene (PubChem CID 54475859) has the molecular formula C15H20F10O2 and a molecular weight of 422.30 g/mol. Its IUPAC name is (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene.

Molecular Properties

Compound Name(9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene
PubChem CID54475859
Molecular FormulaC15H20F10O2
Molecular Weight422.30 g/mol
Exact Mass422.13
IUPAC Name(9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene
SMILESC=CCCCCCC[C@H](F)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C15H20F10O2/c1-2-3-4-5-6-7-8-11(16)9-26-10-12(17,18)14(22,23)27-15(24,25)13(19,20)21/h2,11H,1,3-10H2/t11-/m0/s1
InChIKeyXLNJBBIQBSJHOM-NSHDSACASA-N
XLogP6.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.30
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene with MolForge

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Related Compounds

N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
CID 107009840
1-(2,2,2-trifluoroethoxy)non-8-en-2-ylhydrazine
CID 107012712
12,12,13,13,13-pentafluoro-8-methyltridec-1-ene
CID 20579541
14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene
CID 20579544
(6S)-6-fluoro-7-methoxyhept-1-ene
CID 56628679
1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
CID 107009817
4-dodeca-1,11-dien-4-yloxydodeca-1,11-diene
CID 88718946
8-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-7-fluorooctane-1-sulfonic acid
CID 18359579
1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
CID 87864573
3-tetradeca-1,13-dien-3-yloxytetradeca-1,13-diene
CID 57120298
2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
CID 10703268
12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol
CID 154477198

Frequently Asked Questions

What is the IUPAC name of (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene?
The IUPAC name of (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene (CID 54475859) is (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene.
What is the SMILES notation for (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene?
The canonical SMILES for (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene is C=CCCCCCC[C@H](F)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene?
The InChIKey is XLNJBBIQBSJHOM-NSHDSACASA-N. The full InChI is InChI=1S/C15H20F10O2/c1-2-3-4-5-6-7-8-11(16)9-26-10-12(17,18)14(22,23)27-15(24,25)13(19,20)21/h2,11H,1,3-10H2/t11-/m0/s1.
What are the key properties of (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene?
(9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene has a molecular weight of 422.30 g/mol, XLogP of 6.27, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-fluoro-10-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-1-ene is sourced from PubChem (CID 54475859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).