(1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane

C7H11FO — CID 131878996

IUPAC(1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC[C@@]1(F)CCC[C@@H]2O[C@@H]21
InChIInChI=1S/C7H11FO/c1-7(8)4-2-3-5-6(7)9-5/h5-6H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyVCEYHPOKOVWYPC-LYFYHCNISA-N
MW130.16 g/mol
LogP1.67
Rot. Bonds

About (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane

(1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 131878996) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID131878996
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane
SMILESC[C@@]1(F)CCC[C@@H]2O[C@@H]21
InChIInChI=1S/C7H11FO/c1-7(8)4-2-3-5-6(7)9-5/h5-6H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyVCEYHPOKOVWYPC-LYFYHCNISA-N
XLogP1.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane (CID 131878996) is (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane is C[C@@]1(F)CCC[C@@H]2O[C@@H]21.
What is the InChIKey of (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is VCEYHPOKOVWYPC-LYFYHCNISA-N. The full InChI is InChI=1S/C7H11FO/c1-7(8)4-2-3-5-6(7)9-5/h5-6H,2-4H2,1H3/t5-,6-,7+/m0/s1.
What are the key properties of (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane?
(1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 130.16 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S)-2-fluoro-2-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 131878996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).