[1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride

C5H9ClF3N — CID 84717721

IUPAC[1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(C(F)(F)F)CC1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4(3-9)1-2-4;/h1-3,9H2;1H
InChIKeyCHXOWBWATJMPOW-UHFFFAOYSA-N
MW175.58 g/mol
LogP1.71
Rot. Bonds1

About [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride

[1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 84717721) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
PubChem CID84717721
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC Name[1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(C(F)(F)F)CC1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4(3-9)1-2-4;/h1-3,9H2;1H
InChIKeyCHXOWBWATJMPOW-UHFFFAOYSA-N
XLogP1.71
TPSA26.02 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride (CID 84717721) is [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride is Cl.NCC1(C(F)(F)F)CC1.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is CHXOWBWATJMPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N.ClH/c6-5(7,8)4(3-9)1-2-4;/h1-3,9H2;1H.
What are the key properties of [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride?
[1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 84717721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).