trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride

C4H7ClF3N — CID 71656092

IUPACtrans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C4H6F3N.ClH/c5-4(6,7)2-1-3(2)8;/h2-3H,1,8H2;1H/t2-,3-;/m1./s1
InChIKeySOHXDJVKUXKZIJ-SWLXLVAMSA-N
MW161.55 g/mol
LogP1.32
Rot. Bonds

About trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride

trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 71656092) has the molecular formula C4H7ClF3N and a molecular weight of 161.55 g/mol. Its IUPAC name is trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride
PubChem CID71656092
Molecular FormulaC4H7ClF3N
Molecular Weight161.55 g/mol
Exact Mass161.02
IUPAC Nametrans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C4H6F3N.ClH/c5-4(6,7)2-1-3(2)8;/h2-3H,1,8H2;1H/t2-,3-;/m1./s1
InChIKeySOHXDJVKUXKZIJ-SWLXLVAMSA-N
XLogP1.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.55
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride (CID 71656092) is trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is SOHXDJVKUXKZIJ-SWLXLVAMSA-N. The full InChI is InChI=1S/C4H6F3N.ClH/c5-4(6,7)2-1-3(2)8;/h2-3H,1,8H2;1H/t2-,3-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 161.55 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 71656092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).