N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine

C9H12F9N — CID 88532796

IUPACN-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
SMILESCCCCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F9N/c1-2-3-4-5-19-9(17,18)7(12,13)6(10,11)8(14,15)16/h19H,2-5H2,1H3
InChIKeyBNVVNQUYVLXGTQ-UHFFFAOYSA-N
MW305.18 g/mol
LogP4.19
Rot. Bonds7

About N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine

N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine (PubChem CID 88532796) has the molecular formula C9H12F9N and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine.

Molecular Properties

Compound NameN-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
PubChem CID88532796
Molecular FormulaC9H12F9N
Molecular Weight305.18 g/mol
Exact Mass305.08
IUPAC NameN-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
SMILESCCCCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F9N/c1-2-3-4-5-19-9(17,18)7(12,13)6(10,11)8(14,15)16/h19H,2-5H2,1H3
InChIKeyBNVVNQUYVLXGTQ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine?
The IUPAC name of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine (CID 88532796) is N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine.
What is the SMILES notation for N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine?
The canonical SMILES for N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine is CCCCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine?
The InChIKey is BNVVNQUYVLXGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F9N/c1-2-3-4-5-19-9(17,18)7(12,13)6(10,11)8(14,15)16/h19H,2-5H2,1H3.
What are the key properties of N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine?
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine has a molecular weight of 305.18 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine is sourced from PubChem (CID 88532796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).