N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine

C11H16F9N — CID 91087872

IUPACN-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine
SMILESCCCCCCCNC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F9N/c1-2-3-4-5-6-7-21-8(9(12,13)14,10(15,16)17)11(18,19)20/h21H,2-7H2,1H3
InChIKeyPXPKYCSHXFLIJC-UHFFFAOYSA-N
MW333.24 g/mol
LogP4.97
Rot. Bonds7

About N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine

N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine (PubChem CID 91087872) has the molecular formula C11H16F9N and a molecular weight of 333.24 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine
PubChem CID91087872
Molecular FormulaC11H16F9N
Molecular Weight333.24 g/mol
Exact Mass333.11
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine
SMILESCCCCCCCNC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F9N/c1-2-3-4-5-6-7-21-8(9(12,13)14,10(15,16)17)11(18,19)20/h21H,2-7H2,1H3
InChIKeyPXPKYCSHXFLIJC-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 54.97
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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Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine (CID 91087872) is N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine is CCCCCCCNC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine?
The InChIKey is PXPKYCSHXFLIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F9N/c1-2-3-4-5-6-7-21-8(9(12,13)14,10(15,16)17)11(18,19)20/h21H,2-7H2,1H3.
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine?
N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine has a molecular weight of 333.24 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine is sourced from PubChem (CID 91087872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).