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

C6H9FO — CID 23270850

IUPAC(1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane
SMILESF[C@H]1[C@H]2CCCO[C@@H]12
InChIInChI=1S/C6H9FO/c7-5-4-2-1-3-8-6(4)5/h4-6H,1-3H2/t4-,5+,6-/m1/s1
InChIKeyNYBUUFNUFLWZPP-NGJCXOISSA-N
MW116.14 g/mol
LogP1.13
Rot. Bonds

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

(1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane (PubChem CID 23270850) has the molecular formula C6H9FO and a molecular weight of 116.14 g/mol. Its IUPAC name is (1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane
PubChem CID23270850
Molecular FormulaC6H9FO
Molecular Weight116.14 g/mol
Exact Mass116.06
IUPAC Name(1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane
SMILESF[C@H]1[C@H]2CCCO[C@@H]12
InChIInChI=1S/C6H9FO/c7-5-4-2-1-3-8-6(4)5/h4-6H,1-3H2/t4-,5+,6-/m1/s1
InChIKeyNYBUUFNUFLWZPP-NGJCXOISSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Oxabicyclo(4.1.0)heptane
CID 12509714
7,7-Difluoro-2-oxabicyclo[4.1.0]heptane
CID 85610249
(1S,6S,7S)-7-(trifluoromethyl)-2-oxabicyclo[4.1.0]heptane
CID 101861366
(1S,6S,7R)-7-(trifluoromethyl)-2-oxabicyclo[4.1.0]heptane
CID 101861367
3-Oxabicyclo[4.1.0]heptane
CID 91110065
Nybuufnuflwzpp-hsuxutppsa-
CID 23270849
3-Fluoro-2,5-dimethyloxane
CID 59227680
7-Bromo-7-fluoro-2-oxabicyclo[4.1.0]heptane
CID 119098344
(1R,6S,7R)-7-bromo-7-fluoro-2-oxabicyclo[4.1.0]heptane
CID 131878115
trifluoro-[(1S,6R,7R)-2-oxabicyclo[4.1.0]heptan-7-yl]boranuide
CID 170914084
4-Methyl-2-oxabicyclo[4.1.0]heptane
CID 117933223
3-Methyl-2-oxabicyclo[4.1.0]heptane
CID 145003683

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane (CID 23270850) is (1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane is F[C@H]1[C@H]2CCCO[C@@H]12.
What is the InChIKey of (1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane?
The InChIKey is NYBUUFNUFLWZPP-NGJCXOISSA-N. The full InChI is InChI=1S/C6H9FO/c7-5-4-2-1-3-8-6(4)5/h4-6H,1-3H2/t4-,5+,6-/m1/s1.
What are the key properties of (1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane?
(1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane has a molecular weight of 116.14 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S)-7-fluoro-2-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 23270850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).