1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane

C9H14F2 — CID 176994663

IUPAC1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1CC(C(C)(F)F)C1
InChIInChI=1S/C9H14F2/c1-6(2)7-4-8(5-7)9(3,10)11/h7-8H,1,4-5H2,2-3H3
InChIKeyWMNMJDCMNOMYNC-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.24
Rot. Bonds2

About 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane

1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane (PubChem CID 176994663) 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-en-2-ylcyclobutane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane
PubChem CID176994663
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1CC(C(C)(F)F)C1
InChIInChI=1S/C9H14F2/c1-6(2)7-4-8(5-7)9(3,10)11/h7-8H,1,4-5H2,2-3H3
InChIKeyWMNMJDCMNOMYNC-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

1-Methylidene-4-(trifluoromethyl)cyclohexane
CID 12937208
1,1,2,2-Tetrafluoro-3-methyl-4-prop-2-enylcyclobutane
CID 20134593
1-Methylidene-2-(trifluoromethyl)cyclohexane
CID 23528901
[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]cyclobutane
CID 58999459
1-Methylidene-3-(trifluoromethyl)cyclohexane
CID 64760069
1,1-Difluoro-3-prop-1-en-2-ylcyclopentane
CID 69931809
1,1-Difluoro-3-prop-1-en-2-ylcyclobutane
CID 69931907
1,1-Difluoro-2-prop-1-en-2-ylcyclopentane
CID 69932287
1,1-Difluoro-2-prop-1-en-2-ylcyclobutane
CID 69932616
6,6,6-Trifluoro-2,4-dimethyl-3-methylidenehex-1-ene
CID 88270252
1,1,1,2,6,7,7,7-Octafluoro-4-(1-fluoroethenyl)-2,6-dimethylheptane
CID 88590926
1,1,1,2,6,7,7,7-Octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane
CID 88590950

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane?
The IUPAC name of 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane (CID 176994663) is 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane?
The canonical SMILES for 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane is C=C(C)C1CC(C(C)(F)F)C1.
What is the InChIKey of 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane?
The InChIKey is WMNMJDCMNOMYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-6(2)7-4-8(5-7)9(3,10)11/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane?
1-(1,1-difluoroethyl)-3-prop-1-en-2-ylcyclobutane 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-en-2-ylcyclobutane is sourced from PubChem (CID 176994663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).