methanamine;1,1,1-trifluoropropane;hydrochloride

C4H11ClF3N — CID 175403135

IUPACmethanamine;1,1,1-trifluoropropane;hydrochloride
SMILESCCC(F)(F)F.CN.Cl
InChIInChI=1S/C3H5F3.CH5N.ClH/c1-2-3(4,5)6;1-2;/h2H2,1H3;2H2,1H3;1H
InChIKeyNGHBCRKZBAICFW-UHFFFAOYSA-N
MW165.59 g/mol
LogP1.96
Rot. Bonds

About methanamine;1,1,1-trifluoropropane;hydrochloride

methanamine;1,1,1-trifluoropropane;hydrochloride (PubChem CID 175403135) has the molecular formula C4H11ClF3N and a molecular weight of 165.59 g/mol. Its IUPAC name is methanamine;1,1,1-trifluoropropane;hydrochloride.

Molecular Properties

Compound Namemethanamine;1,1,1-trifluoropropane;hydrochloride
PubChem CID175403135
Molecular FormulaC4H11ClF3N
Molecular Weight165.59 g/mol
Exact Mass165.05
IUPAC Namemethanamine;1,1,1-trifluoropropane;hydrochloride
SMILESCCC(F)(F)F.CN.Cl
InChIInChI=1S/C3H5F3.CH5N.ClH/c1-2-3(4,5)6;1-2;/h2H2,1H3;2H2,1H3;1H
InChIKeyNGHBCRKZBAICFW-UHFFFAOYSA-N
XLogP1.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.59
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methanamine;1,1,1-trifluoropropane;hydrochloride?
The IUPAC name of methanamine;1,1,1-trifluoropropane;hydrochloride (CID 175403135) is methanamine;1,1,1-trifluoropropane;hydrochloride.
What is the SMILES notation for methanamine;1,1,1-trifluoropropane;hydrochloride?
The canonical SMILES for methanamine;1,1,1-trifluoropropane;hydrochloride is CCC(F)(F)F.CN.Cl.
What is the InChIKey of methanamine;1,1,1-trifluoropropane;hydrochloride?
The InChIKey is NGHBCRKZBAICFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3.CH5N.ClH/c1-2-3(4,5)6;1-2;/h2H2,1H3;2H2,1H3;1H.
What are the key properties of methanamine;1,1,1-trifluoropropane;hydrochloride?
methanamine;1,1,1-trifluoropropane;hydrochloride has a molecular weight of 165.59 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1,1,1-trifluoropropane;hydrochloride is sourced from PubChem (CID 175403135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).