N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride

C5H9ClF3N — CID 66570531

IUPACN-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCNC1(C(F)(F)F)CC1.Cl
InChIInChI=1S/C5H8F3N.ClH/c1-9-4(2-3-4)5(6,7)8;/h9H,2-3H2,1H3;1H
InChIKeyJBNWRYCNTHVWED-UHFFFAOYSA-N
MW175.58 g/mol
LogP1.72
Rot. Bonds1

About N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride

N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 66570531) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride
PubChem CID66570531
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC NameN-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride
SMILESCNC1(C(F)(F)F)CC1.Cl
InChIInChI=1S/C5H8F3N.ClH/c1-9-4(2-3-4)5(6,7)8;/h9H,2-3H2,1H3;1H
InChIKeyJBNWRYCNTHVWED-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride (CID 66570531) is N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride is CNC1(C(F)(F)F)CC1.Cl.
What is the InChIKey of N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is JBNWRYCNTHVWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N.ClH/c1-9-4(2-3-4)5(6,7)8;/h9H,2-3H2,1H3;1H.
What are the key properties of N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride?
N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(trifluoromethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 66570531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).