1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane

C11H20F2O2 — CID 70794067

IUPAC1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane
SMILESCOC1CC1OCCCC(F)(F)C(C)C
InChIInChI=1S/C11H20F2O2/c1-8(2)11(12,13)5-4-6-15-10-7-9(10)14-3/h8-10H,4-7H2,1-3H3
InChIKeyMJLGLGYMBNYVIX-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.86
Rot. Bonds7

About 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane

1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane (PubChem CID 70794067) has the molecular formula C11H20F2O2 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane.

Molecular Properties

Compound Name1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane
PubChem CID70794067
Molecular FormulaC11H20F2O2
Molecular Weight222.27 g/mol
Exact Mass222.14
IUPAC Name1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane
SMILESCOC1CC1OCCCC(F)(F)C(C)C
InChIInChI=1S/C11H20F2O2/c1-8(2)11(12,13)5-4-6-15-10-7-9(10)14-3/h8-10H,4-7H2,1-3H3
InChIKeyMJLGLGYMBNYVIX-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane?
The IUPAC name of 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane (CID 70794067) is 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane.
What is the SMILES notation for 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane?
The canonical SMILES for 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane is COC1CC1OCCCC(F)(F)C(C)C.
What is the InChIKey of 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane?
The InChIKey is MJLGLGYMBNYVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-8(2)11(12,13)5-4-6-15-10-7-9(10)14-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane?
1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane has a molecular weight of 222.27 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-5-methylhexoxy)-2-methoxycyclopropane is sourced from PubChem (CID 70794067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).