trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride

C4H8ClF2N — CID 119031364

IUPACtrans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C4H7F2N.ClH/c5-4(6)2-1-3(2)7;/h2-4H,1,7H2;1H/t2-,3-;/m0./s1
InChIKeyUYTDZEGHUBNTBD-GVOALSEPSA-N
MW143.56 g/mol
LogP1.02
Rot. Bonds1

About trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride

trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 119031364) has the molecular formula C4H8ClF2N and a molecular weight of 143.56 g/mol. Its IUPAC name is trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride
PubChem CID119031364
Molecular FormulaC4H8ClF2N
Molecular Weight143.56 g/mol
Exact Mass143.03
IUPAC Nametrans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C4H7F2N.ClH/c5-4(6)2-1-3(2)7;/h2-4H,1,7H2;1H/t2-,3-;/m0./s1
InChIKeyUYTDZEGHUBNTBD-GVOALSEPSA-N
XLogP1.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride (CID 119031364) is trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@H]1C[C@@H]1C(F)F.
What is the InChIKey of trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is UYTDZEGHUBNTBD-GVOALSEPSA-N. The full InChI is InChI=1S/C4H7F2N.ClH/c5-4(6)2-1-3(2)7;/h2-4H,1,7H2;1H/t2-,3-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride?
trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 143.56 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(difluoromethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 119031364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).