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

C7H9ClF9N — CID 19354702

IUPAC1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride
SMILESCCCNC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.Cl
InChIInChI=1S/C7H8F9N.ClH/c1-2-3-17-4(5(8,9)10,6(11,12)13)7(14,15)16;/h17H,2-3H2,1H3;1H
InChIKeyJRVUNUBZBQJHLD-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.83
Rot. Bonds3

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

1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride (PubChem CID 19354702) has the molecular formula C7H9ClF9N and a molecular weight of 313.59 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride
PubChem CID19354702
Molecular FormulaC7H9ClF9N
Molecular Weight313.59 g/mol
Exact Mass313.03
IUPAC Name1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride
SMILESCCCNC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.Cl
InChIInChI=1S/C7H8F9N.ClH/c1-2-3-17-4(5(8,9)10,6(11,12)13)7(14,15)16;/h17H,2-3H2,1H3;1H
InChIKeyJRVUNUBZBQJHLD-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.83
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;hydrochloride?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride (CID 19354702) is 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride is CCCNC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.Cl.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride?
The InChIKey is JRVUNUBZBQJHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9N.ClH/c1-2-3-17-4(5(8,9)10,6(11,12)13)7(14,15)16;/h17H,2-3H2,1H3;1H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride?
1,1,1,3,3,3-hexafluoro-N-propyl-2-(trifluoromethyl)propan-2-amine;hydrochloride has a molecular weight of 313.59 g/mol, XLogP of 3.83, 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;hydrochloride is sourced from PubChem (CID 19354702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).