[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride

C9H14Cl2F3N — CID 167740437

IUPAC[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride
SMILESCC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1CN.Cl
InChIInChI=1S/C9H13ClF3N.ClH/c1-8(2)5(6(8)4-14)3-7(10)9(11,12)13;/h3,5-6H,4,14H2,1-2H3;1H/b7-3-;/t5-,6+;/m1./s1
InChIKeyZBJHNGIPVXWLPH-JPEGKEBTSA-N
MW264.12 g/mol
LogP3.32
Rot. Bonds2

About [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride

[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride (PubChem CID 167740437) has the molecular formula C9H14Cl2F3N and a molecular weight of 264.12 g/mol. Its IUPAC name is [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride
PubChem CID167740437
Molecular FormulaC9H14Cl2F3N
Molecular Weight264.12 g/mol
Exact Mass263.05
IUPAC Name[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride
SMILESCC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1CN.Cl
InChIInChI=1S/C9H13ClF3N.ClH/c1-8(2)5(6(8)4-14)3-7(10)9(11,12)13;/h3,5-6H,4,14H2,1-2H3;1H/b7-3-;/t5-,6+;/m1./s1
InChIKeyZBJHNGIPVXWLPH-JPEGKEBTSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride (CID 167740437) is [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride is CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1CN.Cl.
What is the InChIKey of [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride?
The InChIKey is ZBJHNGIPVXWLPH-JPEGKEBTSA-N. The full InChI is InChI=1S/C9H13ClF3N.ClH/c1-8(2)5(6(8)4-14)3-7(10)9(11,12)13;/h3,5-6H,4,14H2,1-2H3;1H/b7-3-;/t5-,6+;/m1./s1.
What are the key properties of [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride?
[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride has a molecular weight of 264.12 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 167740437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).