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

C16H33F2N — CID 159120167

IUPACN-(2,2-difluorobutyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCC(F)(F)CC
InChIInChI=1S/C16H33F2N/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-16(17,18)4-2/h19H,3-15H2,1-2H3
InChIKeyTWSIYMRQUNOBNQ-UHFFFAOYSA-N
MW277.44 g/mol
LogP5.54
Rot. Bonds14

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

N-(2,2-difluorobutyl)dodecan-1-amine (PubChem CID 159120167) has the molecular formula C16H33F2N and a molecular weight of 277.44 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)dodecan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)dodecan-1-amine
PubChem CID159120167
Molecular FormulaC16H33F2N
Molecular Weight277.44 g/mol
Exact Mass277.26
IUPAC NameN-(2,2-difluorobutyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNCC(F)(F)CC
InChIInChI=1S/C16H33F2N/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-16(17,18)4-2/h19H,3-15H2,1-2H3
InChIKeyTWSIYMRQUNOBNQ-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.44
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 106289504
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
2-(tetradecylamino)ethane-1,1,1-triol
CID 54121591
octane;N-octylnonan-1-amine
CID 145152206
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)dodecan-1-amine?
The IUPAC name of N-(2,2-difluorobutyl)dodecan-1-amine (CID 159120167) is N-(2,2-difluorobutyl)dodecan-1-amine.
What is the SMILES notation for N-(2,2-difluorobutyl)dodecan-1-amine?
The canonical SMILES for N-(2,2-difluorobutyl)dodecan-1-amine is CCCCCCCCCCCCNCC(F)(F)CC.
What is the InChIKey of N-(2,2-difluorobutyl)dodecan-1-amine?
The InChIKey is TWSIYMRQUNOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F2N/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-16(17,18)4-2/h19H,3-15H2,1-2H3.
What are the key properties of N-(2,2-difluorobutyl)dodecan-1-amine?
N-(2,2-difluorobutyl)dodecan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 5.54, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)dodecan-1-amine is sourced from PubChem (CID 159120167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).