1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride

C5H9ClF3N — CID 53415776

IUPAC1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(C(F)(F)F)CCC1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4(9)2-1-3-4;/h1-3,9H2;1H
InChIKeyMNWDPLQMMPTWME-UHFFFAOYSA-N
MW175.58 g/mol
LogP1.85
Rot. Bonds

About 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride

1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride (PubChem CID 53415776) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride
PubChem CID53415776
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC Name1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(C(F)(F)F)CCC1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)4(9)2-1-3-4;/h1-3,9H2;1H
InChIKeyMNWDPLQMMPTWME-UHFFFAOYSA-N
XLogP1.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride (CID 53415776) is 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride is Cl.NC1(C(F)(F)F)CCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is MNWDPLQMMPTWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N.ClH/c6-5(7,8)4(9)2-1-3-4;/h1-3,9H2;1H.
What are the key properties of 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride?
1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 53415776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).