1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride

C7H12ClF2N — CID 174161394

IUPAC1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride
SMILESC=CC(N)C1CC(F)(F)C1.Cl
InChIInChI=1S/C7H11F2N.ClH/c1-2-6(10)5-3-7(8,9)4-5;/h2,5-6H,1,3-4,10H2;1H
InChIKeyBQZZNHDFCRKVQR-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.97
Rot. Bonds2

About 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride

1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride (PubChem CID 174161394) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride
PubChem CID174161394
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride
SMILESC=CC(N)C1CC(F)(F)C1.Cl
InChIInChI=1S/C7H11F2N.ClH/c1-2-6(10)5-3-7(8,9)4-5;/h2,5-6H,1,3-4,10H2;1H
InChIKeyBQZZNHDFCRKVQR-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclobutylprop-2-en-1-amine hydrochloride
CID 139269864
(R)-1-(3,3-difluorocyclobutyl)prop-2-en-1-amine hydrochloride
CID 176451873
1-Cyclobutylprop-2-en-1-amine
CID 55295072
1-(3,3-Difluorocyclobutyl)but-3-en-1-amine
CID 130907354
1-(3,3-Difluorocyclobutyl)prop-2-en-1-amine
CID 130995610
3-Fluoro-3-prop-2-enylcyclobutan-1-amine
CID 112564166
(1R)-1-(3,3-difluorocyclobutyl)prop-2-en-1-amine
CID 176451874
2,2,2-Trifluoro-1-(3-methylidenecyclobutyl)ethan-1-amine
CID 178189970
3-Prop-2-enylcyclobutan-1-amine
CID 88999347
(R)-1-Cyclobutylprop-2-en-1-amine
CID 55293088
(S)-1-Cyclobutylprop-2-en-1-amine
CID 131217565

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride (CID 174161394) is 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride is C=CC(N)C1CC(F)(F)C1.Cl.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is BQZZNHDFCRKVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c1-2-6(10)5-3-7(8,9)4-5;/h2,5-6H,1,3-4,10H2;1H.
What are the key properties of 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride?
1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 174161394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).