N-(2,2,3,3-tetrafluoropropyl)decan-1-amine

C13H25F4N — CID 106289504

IUPACN-(2,2,3,3-tetrafluoropropyl)decan-1-amine
SMILESCCCCCCCCCCNCC(F)(F)C(F)F
InChIInChI=1S/C13H25F4N/c1-2-3-4-5-6-7-8-9-10-18-11-13(16,17)12(14)15/h12,18H,2-11H2,1H3
InChIKeyQXRBKSAYUDGVPZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.62
Rot. Bonds12

About N-(2,2,3,3-tetrafluoropropyl)decan-1-amine

N-(2,2,3,3-tetrafluoropropyl)decan-1-amine (PubChem CID 106289504) has the molecular formula C13H25F4N and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)decan-1-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)decan-1-amine
PubChem CID106289504
Molecular FormulaC13H25F4N
Molecular Weight271.34 g/mol
Exact Mass271.19
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)decan-1-amine
SMILESCCCCCCCCCCNCC(F)(F)C(F)F
InChIInChI=1S/C13H25F4N/c1-2-3-4-5-6-7-8-9-10-18-11-13(16,17)12(14)15/h12,18H,2-11H2,1H3
InChIKeyQXRBKSAYUDGVPZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529290
N-(2,2-difluorobutyl)dodecan-1-amine
CID 159120167
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
CID 172565067
CID 172565067
N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529596
2-(tetradecylamino)ethane-1,1,1-triol
CID 54121591
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)decan-1-amine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)decan-1-amine (CID 106289504) is N-(2,2,3,3-tetrafluoropropyl)decan-1-amine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)decan-1-amine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)decan-1-amine is CCCCCCCCCCNCC(F)(F)C(F)F.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)decan-1-amine?
The InChIKey is QXRBKSAYUDGVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F4N/c1-2-3-4-5-6-7-8-9-10-18-11-13(16,17)12(14)15/h12,18H,2-11H2,1H3.
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)decan-1-amine?
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine has a molecular weight of 271.34 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)decan-1-amine is sourced from PubChem (CID 106289504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).