2-butoxy-1,1-difluorocyclopropane

C7H12F2O — CID 15062440

IUPAC2-butoxy-1,1-difluorocyclopropane
SMILESCCCCOC1CC1(F)F
InChIInChI=1S/C7H12F2O/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyCCRVCHYTQHEPPS-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.21
Rot. Bonds4

About 2-butoxy-1,1-difluorocyclopropane

2-butoxy-1,1-difluorocyclopropane (PubChem CID 15062440) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-butoxy-1,1-difluorocyclopropane.

Molecular Properties

Compound Name2-butoxy-1,1-difluorocyclopropane
PubChem CID15062440
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2-butoxy-1,1-difluorocyclopropane
SMILESCCCCOC1CC1(F)F
InChIInChI=1S/C7H12F2O/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyCCRVCHYTQHEPPS-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,1-difluorocyclopropane?
The IUPAC name of 2-butoxy-1,1-difluorocyclopropane (CID 15062440) is 2-butoxy-1,1-difluorocyclopropane.
What is the SMILES notation for 2-butoxy-1,1-difluorocyclopropane?
The canonical SMILES for 2-butoxy-1,1-difluorocyclopropane is CCCCOC1CC1(F)F.
What is the InChIKey of 2-butoxy-1,1-difluorocyclopropane?
The InChIKey is CCRVCHYTQHEPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3.
What are the key properties of 2-butoxy-1,1-difluorocyclopropane?
2-butoxy-1,1-difluorocyclopropane has a molecular weight of 150.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,1-difluorocyclopropane is sourced from PubChem (CID 15062440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).