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

C4H7ClF3N — CID 50988633

IUPACcis-(1R,2S)-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+;/m0./s1
InChIKeySOHXDJVKUXKZIJ-LJUKVTEVSA-N
MW161.55 g/mol
LogP1.32
Rot. Bonds

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

cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 50988633) has the molecular formula C4H7ClF3N and a molecular weight of 161.55 g/mol. Its IUPAC name is cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride
PubChem CID50988633
Molecular FormulaC4H7ClF3N
Molecular Weight161.55 g/mol
Exact Mass161.02
IUPAC Namecis-(1R,2S)-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+;/m0./s1
InChIKeySOHXDJVKUXKZIJ-LJUKVTEVSA-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 cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride (CID 50988633) is cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@@H]1C(F)(F)F.
What is the InChIKey of cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is SOHXDJVKUXKZIJ-LJUKVTEVSA-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+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
cis-(1R,2S)-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 cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 50988633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).