1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane

C8H10F2 — CID 123501092

IUPAC1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane
SMILESC=CC(=C)C1(C(F)F)CC1
InChIInChI=1S/C8H10F2/c1-3-6(2)8(4-5-8)7(9)10/h3,7H,1-2,4-5H2
InChIKeyWOBPGZQYOKVALD-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.77
Rot. Bonds3

About 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane

1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane (PubChem CID 123501092) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane
PubChem CID123501092
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane
SMILESC=CC(=C)C1(C(F)F)CC1
InChIInChI=1S/C8H10F2/c1-3-6(2)8(4-5-8)7(9)10/h3,7H,1-2,4-5H2
InChIKeyWOBPGZQYOKVALD-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 134570945
CID 134570945
CID 143316756
CID 143316756
CID 12480869
CID 12480869
CID 178842742
CID 178842742
CID 178842783
CID 178842783

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane?
The IUPAC name of 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane (CID 123501092) is 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane?
The canonical SMILES for 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane is C=CC(=C)C1(C(F)F)CC1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane?
The InChIKey is WOBPGZQYOKVALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2/c1-3-6(2)8(4-5-8)7(9)10/h3,7H,1-2,4-5H2.
What are the key properties of 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane?
1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane has a molecular weight of 144.16 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-1-(difluoromethyl)cyclopropane is sourced from PubChem (CID 123501092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).