methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate

C9H12F2O2 — CID 141099553

IUPACmethyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
SMILESCOC(=O)CC1CC2C(C1)C2(F)F
InChIInChI=1S/C9H12F2O2/c1-13-8(12)4-5-2-6-7(3-5)9(6,10)11/h5-7H,2-4H2,1H3
InChIKeyVARKVTRWVFXMQA-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.84
Rot. Bonds2

About methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate

methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate (PubChem CID 141099553) has the molecular formula C9H12F2O2 and a molecular weight of 190.19 g/mol. Its IUPAC name is methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
PubChem CID141099553
Molecular FormulaC9H12F2O2
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
SMILESCOC(=O)CC1CC2C(C1)C2(F)F
InChIInChI=1S/C9H12F2O2/c1-13-8(12)4-5-2-6-7(3-5)9(6,10)11/h5-7H,2-4H2,1H3
InChIKeyVARKVTRWVFXMQA-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 157031019
1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)butan-2-one
CID 157030649
methyl 2-(3,3-dimethylcyclobutyl)acetate
CID 15457661
methyl 2-(2,2-difluorocyclopropyl)acetate
CID 146229342
methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate
CID 175435501
methyl 2-(5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)acetate
CID 89283732
methyl 2-[(1R,2S,3R,5S)-1-fluoro-3,6-dihydroxy-2-bicyclo[3.1.0]hexanyl]acetate
CID 141117145
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
2-[5-(2-methoxy-2-oxoethyl)-3-bicyclo[5.2.1]dec-8-enyl]acetic acid
CID 134267648
methyl 2-[(2S,4S)-4-(2-methoxy-2-oxoethyl)thietan-2-yl]acetate
CID 70342297
6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
CID 137407926
methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
CID 166270818

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate?
The IUPAC name of methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate (CID 141099553) is methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate.
What is the SMILES notation for methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate?
The canonical SMILES for methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate is COC(=O)CC1CC2C(C1)C2(F)F.
What is the InChIKey of methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate?
The InChIKey is VARKVTRWVFXMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O2/c1-13-8(12)4-5-2-6-7(3-5)9(6,10)11/h5-7H,2-4H2,1H3.
What are the key properties of methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate?
methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate has a molecular weight of 190.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate is sourced from PubChem (CID 141099553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).