2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride

C6H9ClF7N — CID 12655948

IUPAC2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride
SMILESCN(C)CC(F)(C(F)(F)F)C(F)(F)F.Cl
InChIInChI=1S/C6H8F7N.ClH/c1-14(2)3-4(7,5(8,9)10)6(11,12)13;/h3H2,1-2H3;1H
InChIKeyVPHLQKMIJCHYEX-UHFFFAOYSA-N
MW263.58 g/mol
LogP2.80
Rot. Bonds2

About 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride

2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride (PubChem CID 12655948) has the molecular formula C6H9ClF7N and a molecular weight of 263.58 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride
PubChem CID12655948
Molecular FormulaC6H9ClF7N
Molecular Weight263.58 g/mol
Exact Mass263.03
IUPAC Name2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride
SMILESCN(C)CC(F)(C(F)(F)F)C(F)(F)F.Cl
InChIInChI=1S/C6H8F7N.ClH/c1-14(2)3-4(7,5(8,9)10)6(11,12)13;/h3H2,1-2H3;1H
InChIKeyVPHLQKMIJCHYEX-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.58
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride?
The IUPAC name of 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride (CID 12655948) is 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride?
The canonical SMILES for 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride is CN(C)CC(F)(C(F)(F)F)C(F)(F)F.Cl.
What is the InChIKey of 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride?
The InChIKey is VPHLQKMIJCHYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F7N.ClH/c1-14(2)3-4(7,5(8,9)10)6(11,12)13;/h3H2,1-2H3;1H.
What are the key properties of 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride?
2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride has a molecular weight of 263.58 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 12655948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).