azane;1,1,1-trifluorobutane;hydrochloride

C4H11ClF3N — CID 135354916

IUPACazane;1,1,1-trifluorobutane;hydrochloride
SMILESCCCC(F)(F)F.Cl.N
InChIInChI=1S/C4H7F3.ClH.H3N/c1-2-3-4(5,6)7;;/h2-3H2,1H3;1H;1H3
InChIKeyFNBVCURMAIJKDX-UHFFFAOYSA-N
MW165.59 g/mol
LogP2.93
Rot. Bonds1

About azane;1,1,1-trifluorobutane;hydrochloride

azane;1,1,1-trifluorobutane;hydrochloride (PubChem CID 135354916) has the molecular formula C4H11ClF3N and a molecular weight of 165.59 g/mol. Its IUPAC name is azane;1,1,1-trifluorobutane;hydrochloride.

Molecular Properties

Compound Nameazane;1,1,1-trifluorobutane;hydrochloride
PubChem CID135354916
Molecular FormulaC4H11ClF3N
Molecular Weight165.59 g/mol
Exact Mass165.05
IUPAC Nameazane;1,1,1-trifluorobutane;hydrochloride
SMILESCCCC(F)(F)F.Cl.N
InChIInChI=1S/C4H7F3.ClH.H3N/c1-2-3-4(5,6)7;;/h2-3H2,1H3;1H;1H3
InChIKeyFNBVCURMAIJKDX-UHFFFAOYSA-N
XLogP2.93
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.59
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;1,1,1-trifluorobutane;hydrochloride?
The IUPAC name of azane;1,1,1-trifluorobutane;hydrochloride (CID 135354916) is azane;1,1,1-trifluorobutane;hydrochloride.
What is the SMILES notation for azane;1,1,1-trifluorobutane;hydrochloride?
The canonical SMILES for azane;1,1,1-trifluorobutane;hydrochloride is CCCC(F)(F)F.Cl.N.
What is the InChIKey of azane;1,1,1-trifluorobutane;hydrochloride?
The InChIKey is FNBVCURMAIJKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3.ClH.H3N/c1-2-3-4(5,6)7;;/h2-3H2,1H3;1H;1H3.
What are the key properties of azane;1,1,1-trifluorobutane;hydrochloride?
azane;1,1,1-trifluorobutane;hydrochloride has a molecular weight of 165.59 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1,1-trifluorobutane;hydrochloride is sourced from PubChem (CID 135354916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).