1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C14H17F9 — CID 19807705

IUPAC1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCC2CCCCC21
InChIInChI=1S/C14H17F9/c15-11(16,12(17,18)13(19,20)14(21,22)23)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2
InChIKeyKLTPJFCISAKPSD-UHFFFAOYSA-N
MW356.27 g/mol
LogP6.06
Rot. Bonds3

About 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 19807705) has the molecular formula C14H17F9 and a molecular weight of 356.27 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID19807705
Molecular FormulaC14H17F9
Molecular Weight356.27 g/mol
Exact Mass356.12
IUPAC Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCC2CCCCC21
InChIInChI=1S/C14H17F9/c15-11(16,12(17,18)13(19,20)14(21,22)23)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2
InChIKeyKLTPJFCISAKPSD-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.27
LogP ≤ 56.06
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 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 19807705) is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCC2CCCCC21.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is KLTPJFCISAKPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F9/c15-11(16,12(17,18)13(19,20)14(21,22)23)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 356.27 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 19807705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).