5-fluorobicyclo[3.1.0]hexan-2-one

C6H7FO — CID 143048731

IUPAC5-fluorobicyclo[3.1.0]hexan-2-one
SMILESO=C1CCC2(F)CC12
InChIInChI=1S/C6H7FO/c7-6-2-1-5(8)4(6)3-6/h4H,1-3H2
InChIKeyKGZUMQRKBBHPSI-UHFFFAOYSA-N
MW114.12 g/mol
LogP1.08
Rot. Bonds

About 5-fluorobicyclo[3.1.0]hexan-2-one

5-fluorobicyclo[3.1.0]hexan-2-one (PubChem CID 143048731) has the molecular formula C6H7FO and a molecular weight of 114.12 g/mol. Its IUPAC name is 5-fluorobicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name5-fluorobicyclo[3.1.0]hexan-2-one
PubChem CID143048731
Molecular FormulaC6H7FO
Molecular Weight114.12 g/mol
Exact Mass114.05
IUPAC Name5-fluorobicyclo[3.1.0]hexan-2-one
SMILESO=C1CCC2(F)CC12
InChIInChI=1S/C6H7FO/c7-6-2-1-5(8)4(6)3-6/h4H,1-3H2
InChIKeyKGZUMQRKBBHPSI-UHFFFAOYSA-N
XLogP1.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-4,4-difluorocyclohexan-1-one
CID 86775780
(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one
CID 130754418
(1S,5S)-5-(3,5-difluorophenyl)bicyclo[3.1.0]hexan-2-one
CID 121003045
methyl 5,5-difluoro-2-oxocyclohexane-1-carboxylate
CID 156900267
2,3,3-trimethylcyclopentan-1-one
CID 12842713
3a,4-dimethyl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 130038182
(1R,5S,8S)-tricyclo[6.3.0.01,5]undecan-4-one
CID 12061440
(1S,5R)-3-fluorotricyclo[3.3.1.03,7]nonan-9-one
CID 10654444
1-fluorobicyclo[3.1.1]heptan-2-one
CID 13265793
(4S,7S,11R)-5,11-dimethyltetracyclo[5.3.1.11,4.05,11]dodecan-8-one
CID 135044248
7-sulfanyl-1,4-dioxaspiro[4.5]decan-8-one
CID 87163817
5,5-difluorocyclooctan-1-one
CID 139801373

Frequently Asked Questions

What is the IUPAC name of 5-fluorobicyclo[3.1.0]hexan-2-one?
The IUPAC name of 5-fluorobicyclo[3.1.0]hexan-2-one (CID 143048731) is 5-fluorobicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 5-fluorobicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 5-fluorobicyclo[3.1.0]hexan-2-one is O=C1CCC2(F)CC12.
What is the InChIKey of 5-fluorobicyclo[3.1.0]hexan-2-one?
The InChIKey is KGZUMQRKBBHPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO/c7-6-2-1-5(8)4(6)3-6/h4H,1-3H2.
What are the key properties of 5-fluorobicyclo[3.1.0]hexan-2-one?
5-fluorobicyclo[3.1.0]hexan-2-one has a molecular weight of 114.12 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorobicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 143048731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).