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

C7H11F2N — CID 130995610

IUPAC1-(3,3-difluorocyclobutyl)prop-2-en-1-amine
SMILESC=CC(N)C1CC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-2-6(10)5-3-7(8,9)4-5/h2,5-6H,1,3-4,10H2
InChIKeyRLJAJYPAUUDKRY-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.54
Rot. Bonds2

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

1-(3,3-difluorocyclobutyl)prop-2-en-1-amine (PubChem CID 130995610) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)prop-2-en-1-amine
PubChem CID130995610
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-(3,3-difluorocyclobutyl)prop-2-en-1-amine
SMILESC=CC(N)C1CC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-2-6(10)5-3-7(8,9)4-5/h2,5-6H,1,3-4,10H2
InChIKeyRLJAJYPAUUDKRY-UHFFFAOYSA-N
XLogP1.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride
CID 135392975
1-(3,3-difluorocyclobutyl)ethylhydrazine
CID 130847643
(1S)-1-[(2S)-oxiran-2-yl]prop-2-en-1-amine
CID 101488014
2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde
CID 168935659
4-cyclopropylpent-1-en-3-amine
CID 105000971
4-[(2S)-but-3-en-2-yl]-1-fluoro-1-methylcyclohexane
CID 142543146
1-[2-(2-methylpropyl)cyclopropyl]prop-2-en-1-amine
CID 131228044
cyclopentyl-(3,3-difluorocyclopentyl)methanamine
CID 130484946
(2S)-but-3-en-2-amine
CID 10034575
3-cyclopropyl-1,1-difluorocyclobutane
CID 157034703
(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
CID 130992574

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine (CID 130995610) is 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine is C=CC(N)C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine?
The InChIKey is RLJAJYPAUUDKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-2-6(10)5-3-7(8,9)4-5/h2,5-6H,1,3-4,10H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)prop-2-en-1-amine?
1-(3,3-difluorocyclobutyl)prop-2-en-1-amine has a molecular weight of 147.17 g/mol, XLogP of 1.54, 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 is sourced from PubChem (CID 130995610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).