1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane

C11H18F2O2 — CID 70794064

IUPAC1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane
SMILESCOC1CC1OC/C=C/C(F)(F)C(C)C
InChIInChI=1S/C11H18F2O2/c1-8(2)11(12,13)5-4-6-15-10-7-9(10)14-3/h4-5,8-10H,6-7H2,1-3H3/b5-4+
InChIKeyFXRBQFRCAPGJNA-SNAWJCMRSA-N
MW220.26 g/mol
LogP2.64
Rot. Bonds6

About 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane

1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane (PubChem CID 70794064) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane.

Molecular Properties

Compound Name1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane
PubChem CID70794064
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane
SMILESCOC1CC1OC/C=C/C(F)(F)C(C)C
InChIInChI=1S/C11H18F2O2/c1-8(2)11(12,13)5-4-6-15-10-7-9(10)14-3/h4-5,8-10H,6-7H2,1-3H3/b5-4+
InChIKeyFXRBQFRCAPGJNA-SNAWJCMRSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane?
The IUPAC name of 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane (CID 70794064) is 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane.
What is the SMILES notation for 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane?
The canonical SMILES for 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane is COC1CC1OC/C=C/C(F)(F)C(C)C.
What is the InChIKey of 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane?
The InChIKey is FXRBQFRCAPGJNA-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-8(2)11(12,13)5-4-6-15-10-7-9(10)14-3/h4-5,8-10H,6-7H2,1-3H3/b5-4+.
What are the key properties of 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane?
1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane has a molecular weight of 220.26 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methoxycyclopropane is sourced from PubChem (CID 70794064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).