7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile

C10H10F9N — CID 139685068

IUPAC7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile
SMILESN#CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9N/c11-7(12,5-3-1-2-4-6-20)8(13,14)9(15,16)10(17,18)19/h1-5H2
InChIKeyBYLDTIRRWMEPOT-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.93
Rot. Bonds7

About 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile

7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile (PubChem CID 139685068) has the molecular formula C10H10F9N and a molecular weight of 315.18 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile
PubChem CID139685068
Molecular FormulaC10H10F9N
Molecular Weight315.18 g/mol
Exact Mass315.07
IUPAC Name7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile
SMILESN#CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9N/c11-7(12,5-3-1-2-4-6-20)8(13,14)9(15,16)10(17,18)19/h1-5H2
InChIKeyBYLDTIRRWMEPOT-UHFFFAOYSA-N
XLogP4.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5,5,6,6,6-Pentafluorohexanecarbonitrile
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4,4,5,5,6,6,7,7,7-Nonafluoroheptanecarbonitrile
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4,4,5,5-Tetrafluorooctanedinitrile
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5,5,6,6,7,7,7-Heptafluoroheptanenitrile
CID 85603926
4,4,5,5,6,6,7,7-Octafluorodecanedinitrile
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Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile?
The IUPAC name of 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile (CID 139685068) is 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile.
What is the SMILES notation for 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile?
The canonical SMILES for 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile is N#CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile?
The InChIKey is BYLDTIRRWMEPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9N/c11-7(12,5-3-1-2-4-6-20)8(13,14)9(15,16)10(17,18)19/h1-5H2.
What are the key properties of 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile?
7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile has a molecular weight of 315.18 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile is sourced from PubChem (CID 139685068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).