N-(trifluoromethyl)hexadecan-1-amine

C17H34F3N — CID 158402254

IUPACN-(trifluoromethyl)hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNC(F)(F)F
InChIInChI=1S/C17H34F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(18,19)20/h21H,2-16H2,1H3
InChIKeyGYGBMPWEDQKIBQ-UHFFFAOYSA-N
MW309.46 g/mol
LogP6.58
Rot. Bonds15

About N-(trifluoromethyl)hexadecan-1-amine

N-(trifluoromethyl)hexadecan-1-amine (PubChem CID 158402254) has the molecular formula C17H34F3N and a molecular weight of 309.46 g/mol. Its IUPAC name is N-(trifluoromethyl)hexadecan-1-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)hexadecan-1-amine
PubChem CID158402254
Molecular FormulaC17H34F3N
Molecular Weight309.46 g/mol
Exact Mass309.26
IUPAC NameN-(trifluoromethyl)hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNC(F)(F)F
InChIInChI=1S/C17H34F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(18,19)20/h21H,2-16H2,1H3
InChIKeyGYGBMPWEDQKIBQ-UHFFFAOYSA-N
XLogP6.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.46
LogP ≤ 56.58
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'}

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Related Compounds

N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine
CID 175131707
(hexadecylamino)-(hexylamino)methanedithiol
CID 176812583
N-tert-butylnonadecan-1-amine
CID 87846739
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine
CID 90695405
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
N-(tribromomethyl)hexadecan-1-amine
CID 175543553
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
1,1-bis(octylamino)ethanol
CID 87347011
N-heptyl-5-methylnonan-5-amine
CID 126560493
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)hexadecan-1-amine?
The IUPAC name of N-(trifluoromethyl)hexadecan-1-amine (CID 158402254) is N-(trifluoromethyl)hexadecan-1-amine.
What is the SMILES notation for N-(trifluoromethyl)hexadecan-1-amine?
The canonical SMILES for N-(trifluoromethyl)hexadecan-1-amine is CCCCCCCCCCCCCCCCNC(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)hexadecan-1-amine?
The InChIKey is GYGBMPWEDQKIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(18,19)20/h21H,2-16H2,1H3.
What are the key properties of N-(trifluoromethyl)hexadecan-1-amine?
N-(trifluoromethyl)hexadecan-1-amine has a molecular weight of 309.46 g/mol, XLogP of 6.58, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)hexadecan-1-amine is sourced from PubChem (CID 158402254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).