1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane

C8H12F2 — CID 134570912

IUPAC1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane
SMILESC=C(C(C)C)C1CC1(F)F
InChIInChI=1S/C8H12F2/c1-5(2)6(3)7-4-8(7,9)10/h5,7H,3-4H2,1-2H3
InChIKeyOCNCIPUPENBMTP-UHFFFAOYSA-N
MW146.18 g/mol
LogP2.85
Rot. Bonds2

About 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane

1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane (PubChem CID 134570912) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane.

Molecular Properties

Compound Name1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane
PubChem CID134570912
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane
SMILESC=C(C(C)C)C1CC1(F)F
InChIInChI=1S/C8H12F2/c1-5(2)6(3)7-4-8(7,9)10/h5,7H,3-4H2,1-2H3
InChIKeyOCNCIPUPENBMTP-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane?
The IUPAC name of 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane (CID 134570912) is 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane.
What is the SMILES notation for 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane?
The canonical SMILES for 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane is C=C(C(C)C)C1CC1(F)F.
What is the InChIKey of 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane?
The InChIKey is OCNCIPUPENBMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-5(2)6(3)7-4-8(7,9)10/h5,7H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane?
1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane has a molecular weight of 146.18 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(3-methylbut-1-en-2-yl)cyclopropane is sourced from PubChem (CID 134570912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).