1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane

C9H14F2 — CID 123925830

IUPAC1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane
SMILESCC=CC1CC(C(C)(F)F)C1
InChIInChI=1S/C9H14F2/c1-3-4-7-5-8(6-7)9(2,10)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJJVOMGLZLQSTDL-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.24
Rot. Bonds2

About 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane

1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane (PubChem CID 123925830) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane
PubChem CID123925830
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane
SMILESCC=CC1CC(C(C)(F)F)C1
InChIInChI=1S/C9H14F2/c1-3-4-7-5-8(6-7)9(2,10)11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyJJVOMGLZLQSTDL-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1-difluoroethyl)cyclobutan-1-ol
CID 155891385
3-[(E)-prop-1-enyl]bicyclo[3.1.0]hexane
CID 154516435
1-(1,1-difluoroethyl)-4-[(E)-3,3-dimethylbut-1-enyl]cyclohexane
CID 158566719
2-[difluoro-(3,4,5-trimethylcyclohexyl)oxymethyl]-1,3-dimethyl-5-[(E)-prop-1-enyl]cyclohexane
CID 71142128
prop-1-enylcyclododecane
CID 139760926
trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
CID 134897688
4-[(Z)-prop-1-enyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 172831343
1-methyl-3-[(E)-prop-1-enyl]azetidine
CID 171094994
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
(3S,5R)-3-(1,1-difluoroethyl)-1-methyl-5-(trifluoromethyl)piperidine
CID 159797513
4-prop-1-enyloxane
CID 67943366
4-[(E)-prop-1-enyl]cyclohexan-1-amine
CID 54523071

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane?
The IUPAC name of 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane (CID 123925830) is 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane?
The canonical SMILES for 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane is CC=CC1CC(C(C)(F)F)C1.
What is the InChIKey of 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane?
The InChIKey is JJVOMGLZLQSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-3-4-7-5-8(6-7)9(2,10)11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane?
1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane has a molecular weight of 160.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane is sourced from PubChem (CID 123925830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).