N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine

C8H14F5N — CID 18388689

IUPACN-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine
SMILESCCCCCCNC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5N/c1-2-3-4-5-6-14-8(12,13)7(9,10)11/h14H,2-6H2,1H3
InChIKeyURRNLUVYSJRZOL-UHFFFAOYSA-N
MW219.20 g/mol
LogP3.31
Rot. Bonds6

About N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine

N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine (PubChem CID 18388689) has the molecular formula C8H14F5N and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine
PubChem CID18388689
Molecular FormulaC8H14F5N
Molecular Weight219.20 g/mol
Exact Mass219.10
IUPAC NameN-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine
SMILESCCCCCCNC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5N/c1-2-3-4-5-6-14-8(12,13)7(9,10)11/h14H,2-6H2,1H3
InChIKeyURRNLUVYSJRZOL-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 53.31
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-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine (CID 18388689) is N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine is CCCCCCNC(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine?
The InChIKey is URRNLUVYSJRZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F5N/c1-2-3-4-5-6-14-8(12,13)7(9,10)11/h14H,2-6H2,1H3.
What are the key properties of N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine?
N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine has a molecular weight of 219.20 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethyl)hexan-1-amine is sourced from PubChem (CID 18388689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).