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

C14H26F5N — CID 175131707

IUPACN-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNC(F)(F)C(F)(F)F
InChIInChI=1S/C14H26F5N/c1-2-3-4-5-6-7-8-9-10-11-12-20-14(18,19)13(15,16)17/h20H,2-12H2,1H3
InChIKeyWFPCLHHYTZIRDY-UHFFFAOYSA-N
MW303.36 g/mol
LogP5.65
Rot. Bonds12

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

N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine (PubChem CID 175131707) has the molecular formula C14H26F5N and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine
PubChem CID175131707
Molecular FormulaC14H26F5N
Molecular Weight303.36 g/mol
Exact Mass303.20
IUPAC NameN-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNC(F)(F)C(F)(F)F
InChIInChI=1S/C14H26F5N/c1-2-3-4-5-6-7-8-9-10-11-12-20-14(18,19)13(15,16)17/h20H,2-12H2,1H3
InChIKeyWFPCLHHYTZIRDY-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.36
LogP ≤ 55.65
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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Related Compounds

N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine
CID 90695405
N-(trifluoromethyl)hexadecan-1-amine
CID 158402254
(hexadecylamino)-(hexylamino)methanedithiol
CID 176812583
N-tert-butylnonadecan-1-amine
CID 87846739
1-(dodecylamino)ethane-1,1-diol
CID 23198053
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-(tribromomethyl)hexadecan-1-amine
CID 175543553
N-(2-methylhex-3-en-2-yl)nonan-1-amine
CID 54219043
1,1-bis(octylamino)ethanol
CID 87347011
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-heptyl-5-methylnonan-5-amine
CID 126560493

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine (CID 175131707) is N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine is CCCCCCCCCCCCNC(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine?
The InChIKey is WFPCLHHYTZIRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F5N/c1-2-3-4-5-6-7-8-9-10-11-12-20-14(18,19)13(15,16)17/h20H,2-12H2,1H3.
What are the key properties of N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine?
N-(1,1,2,2,2-pentafluoroethyl)dodecan-1-amine has a molecular weight of 303.36 g/mol, XLogP of 5.65, 12 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)dodecan-1-amine is sourced from PubChem (CID 175131707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).