1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene

C10H11F9O — CID 175759689

IUPAC1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene
SMILESCCCCCOC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F9O/c1-2-3-4-5-20-7(12)6(11)8(13,14)9(15,16)10(17,18)19/h2-5H2,1H3
InChIKeyZJMUSNAVGUSTFP-UHFFFAOYSA-N
MW318.18 g/mol
LogP5.13
Rot. Bonds7

About 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene

1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene (PubChem CID 175759689) has the molecular formula C10H11F9O and a molecular weight of 318.18 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene.

Molecular Properties

Compound Name1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene
PubChem CID175759689
Molecular FormulaC10H11F9O
Molecular Weight318.18 g/mol
Exact Mass318.07
IUPAC Name1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene
SMILESCCCCCOC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F9O/c1-2-3-4-5-20-7(12)6(11)8(13,14)9(15,16)10(17,18)19/h2-5H2,1H3
InChIKeyZJMUSNAVGUSTFP-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.18
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-hexoxyhex-1-ene
CID 175759743
1-(1,2,3,3,3-pentafluoroprop-1-enoxy)tetradecane
CID 175204949
1-ethoxy-1,2,3,3,4,4,5,5,5-nonafluoropent-1-ene
CID 172692823
pentyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 521107
nonyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate
CID 91737665
tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate
CID 91737669
octyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 86127603
1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene
CID 175759797
octyl N-[2-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)phenyl]carbamate
CID 139811497
decyl 2,2,3,3,3-pentafluoropropanoate
CID 536957
tridecyl (2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate
CID 20837558
octyl N-[3-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)phenyl]carbamate
CID 139811440

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene?
The IUPAC name of 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene (CID 175759689) is 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene.
What is the SMILES notation for 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene?
The canonical SMILES for 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene is CCCCCOC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene?
The InChIKey is ZJMUSNAVGUSTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9O/c1-2-3-4-5-20-7(12)6(11)8(13,14)9(15,16)10(17,18)19/h2-5H2,1H3.
What are the key properties of 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene?
1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene has a molecular weight of 318.18 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,5,5,5-nonafluoro-1-pentoxypent-1-ene is sourced from PubChem (CID 175759689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).