2-butyl-1,1-difluorocyclopropane

C7H12F2 — CID 14715071

IUPAC2-butyl-1,1-difluorocyclopropane
SMILESCCCCC1CC1(F)F
InChIInChI=1S/C7H12F2/c1-2-3-4-6-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyXYEWDWRGEMRNCD-UHFFFAOYSA-N
MW134.17 g/mol
LogP2.83
Rot. Bonds3

About 2-butyl-1,1-difluorocyclopropane

2-butyl-1,1-difluorocyclopropane (PubChem CID 14715071) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 2-butyl-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-butyl-1,1-difluorocyclopropane
PubChem CID14715071
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name2-butyl-1,1-difluorocyclopropane
SMILESCCCCC1CC1(F)F
InChIInChI=1S/C7H12F2/c1-2-3-4-6-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyXYEWDWRGEMRNCD-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,1-difluorocyclopropane?
The IUPAC name of 2-butyl-1,1-difluorocyclopropane (CID 14715071) is 2-butyl-1,1-difluorocyclopropane.
What is the SMILES notation for 2-butyl-1,1-difluorocyclopropane?
The canonical SMILES for 2-butyl-1,1-difluorocyclopropane is CCCCC1CC1(F)F.
What is the InChIKey of 2-butyl-1,1-difluorocyclopropane?
The InChIKey is XYEWDWRGEMRNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-2-3-4-6-5-7(6,8)9/h6H,2-5H2,1H3.
What are the key properties of 2-butyl-1,1-difluorocyclopropane?
2-butyl-1,1-difluorocyclopropane has a molecular weight of 134.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,1-difluorocyclopropane is sourced from PubChem (CID 14715071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).