1-(3,3-difluorocyclobutyl)but-3-en-1-amine

C8H13F2N — CID 130907354

IUPAC1-(3,3-difluorocyclobutyl)but-3-en-1-amine
SMILESC=CCC(N)C1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-2-3-7(11)6-4-8(9,10)5-6/h2,6-7H,1,3-5,11H2
InChIKeyHUWVSQDIKAUTBG-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.94
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)but-3-en-1-amine

1-(3,3-difluorocyclobutyl)but-3-en-1-amine (PubChem CID 130907354) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)but-3-en-1-amine
PubChem CID130907354
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-(3,3-difluorocyclobutyl)but-3-en-1-amine
SMILESC=CCC(N)C1CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-2-3-7(11)6-4-8(9,10)5-6/h2,6-7H,1,3-5,11H2
InChIKeyHUWVSQDIKAUTBG-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.94
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

1-Cyclobutylbut-3-en-2-amine hydrochloride
CID 168025742
(R)-1-(3,3-difluorocyclobutyl)prop-2-en-1-amine hydrochloride
CID 176451873
4-(Trifluoromethyl)hept-6-en-1-amine
CID 89153956
(2S)-3-(3-fluoropropyl)hex-5-en-2-amine
CID 89952050
8-(3,3-Difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine
CID 129066497
1-(3,3-Difluorocyclohexyl)prop-2-en-1-amine
CID 130484909
1-(3,3-Difluorocyclobutyl)prop-2-en-1-amine
CID 130995610
(2E)-1-cyclobutyl-2-(trifluoromethyl)penta-2,4-dien-1-amine
CID 144787935
Ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine
CID 163278944
7,7,7-Trifluoro-3-methylhept-1-en-4-amine
CID 163278945
(2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine
CID 174025767
1-(3,3-Difluorocyclobutyl)-2-propen-1-amine Hydrochloride
CID 174161394

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)but-3-en-1-amine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)but-3-en-1-amine (CID 130907354) is 1-(3,3-difluorocyclobutyl)but-3-en-1-amine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)but-3-en-1-amine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)but-3-en-1-amine is C=CCC(N)C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)but-3-en-1-amine?
The InChIKey is HUWVSQDIKAUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-2-3-7(11)6-4-8(9,10)5-6/h2,6-7H,1,3-5,11H2.
What are the key properties of 1-(3,3-difluorocyclobutyl)but-3-en-1-amine?
1-(3,3-difluorocyclobutyl)but-3-en-1-amine has a molecular weight of 161.19 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)but-3-en-1-amine is sourced from PubChem (CID 130907354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).