trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride

C4H8ClF2N — CID 168955835

IUPACtrans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride
SMILESC[C@H]1[C@H](N)C1(F)F.Cl
InChIInChI=1S/C4H7F2N.ClH/c1-2-3(7)4(2,5)6;/h2-3H,7H2,1H3;1H/t2-,3-;/m0./s1
InChIKeyHHNKRSOKZDRLGI-GVOALSEPSA-N
MW143.56 g/mol
LogP1.02
Rot. Bonds

About trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride

trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride (PubChem CID 168955835) has the molecular formula C4H8ClF2N and a molecular weight of 143.56 g/mol. Its IUPAC name is trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride
PubChem CID168955835
Molecular FormulaC4H8ClF2N
Molecular Weight143.56 g/mol
Exact Mass143.03
IUPAC Nametrans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride
SMILESC[C@H]1[C@H](N)C1(F)F.Cl
InChIInChI=1S/C4H7F2N.ClH/c1-2-3(7)4(2,5)6;/h2-3H,7H2,1H3;1H/t2-,3-;/m0./s1
InChIKeyHHNKRSOKZDRLGI-GVOALSEPSA-N
XLogP1.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.56
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride (CID 168955835) is trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride is C[C@H]1[C@H](N)C1(F)F.Cl.
What is the InChIKey of trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride?
The InChIKey is HHNKRSOKZDRLGI-GVOALSEPSA-N. The full InChI is InChI=1S/C4H7F2N.ClH/c1-2-3(7)4(2,5)6;/h2-3H,7H2,1H3;1H/t2-,3-;/m0./s1.
What are the key properties of trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride?
trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride has a molecular weight of 143.56 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 168955835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).