1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine

C10H10F13N — CID 19761974

IUPAC1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine
SMILESCC(C)CNC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F13N/c1-4(2)3-24-10(22,23)5(11,8(16,17)18)6(12,13)7(14,15)9(19,20)21/h4,24H,3H2,1-2H3
InChIKeyNQRQWJIYQVRDIX-UHFFFAOYSA-N
MW391.17 g/mol
LogP4.93
Rot. Bonds6

About 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine

1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine (PubChem CID 19761974) has the molecular formula C10H10F13N and a molecular weight of 391.17 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine
PubChem CID19761974
Molecular FormulaC10H10F13N
Molecular Weight391.17 g/mol
Exact Mass391.06
IUPAC Name1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine
SMILESCC(C)CNC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F13N/c1-4(2)3-24-10(22,23)5(11,8(16,17)18)6(12,13)7(14,15)9(19,20)21/h4,24H,3H2,1-2H3
InChIKeyNQRQWJIYQVRDIX-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.17
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine?
The IUPAC name of 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine (CID 19761974) is 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine is CC(C)CNC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine?
The InChIKey is NQRQWJIYQVRDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F13N/c1-4(2)3-24-10(22,23)5(11,8(16,17)18)6(12,13)7(14,15)9(19,20)21/h4,24H,3H2,1-2H3.
What are the key properties of 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine?
1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine has a molecular weight of 391.17 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine is sourced from PubChem (CID 19761974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).