1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine

C7H8F9N — CID 19354703

IUPAC1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine
SMILESCCCNC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9N/c1-2-3-17-4(5(8,9)10,6(11,12)13)7(14,15)16/h17H,2-3H2,1H3
InChIKeyFVULFYGJJKSZFZ-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.41
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine

1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine (PubChem CID 19354703) has the molecular formula C7H8F9N and a molecular weight of 277.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine
PubChem CID19354703
Molecular FormulaC7H8F9N
Molecular Weight277.13 g/mol
Exact Mass277.05
IUPAC Name1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine
SMILESCCCNC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F9N/c1-2-3-17-4(5(8,9)10,6(11,12)13)7(14,15)16/h17H,2-3H2,1H3
InChIKeyFVULFYGJJKSZFZ-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine (CID 19354703) is 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine is CCCNC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine?
The InChIKey is FVULFYGJJKSZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9N/c1-2-3-17-4(5(8,9)10,6(11,12)13)7(14,15)16/h17H,2-3H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine?
1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine has a molecular weight of 277.13 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine is sourced from PubChem (CID 19354703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).