methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate

C10H15FO2 — CID 155021699

IUPACmethyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate
SMILESCOC(=O)C1CC2(C(C)F)CCC12
InChIInChI=1S/C10H15FO2/c1-6(11)10-4-3-8(10)7(5-10)9(12)13-2/h6-8H,3-5H2,1-2H3
InChIKeyBXRSJGYXYBRYPH-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.93
Rot. Bonds2

About methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate

methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate (PubChem CID 155021699) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate
PubChem CID155021699
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Namemethyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate
SMILESCOC(=O)C1CC2(C(C)F)CCC12
InChIInChI=1S/C10H15FO2/c1-6(11)10-4-3-8(10)7(5-10)9(12)13-2/h6-8H,3-5H2,1-2H3
InChIKeyBXRSJGYXYBRYPH-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-bromoethynyl)-4,4-difluorocyclohexane-1-carboxylate
CID 118308963
cis-methyl (1R,2R)-4,4-difluoro-2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 118309432
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
cis-methyl (1S,2S)-2-propan-2-ylcyclobutane-1-carboxylate
CID 59802095
trans-methyl (1S,2S)-2-amino-3,3-difluorocyclopentane-1-carboxylate
CID 42640503
methyl (2S,3R)-2-(difluoromethyl)oxolane-3-carboxylate
CID 99985992
methyl 4,4-difluoro-2-(trifluoromethyl)cyclopentane-1-carboxylate
CID 167239486
methyl 2,5-di(propan-2-yl)cyclohexane-1-carboxylate
CID 168819317
cis-methyl (1S,2S)-2-fluorosulfonylcyclobutane-1-carboxylate
CID 165459369
cis-methyl (1R,2S)-5,5-difluoro-2-phenylcyclohexane-1-carboxylate
CID 156900270
methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate
CID 71244310

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate?
The IUPAC name of methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate (CID 155021699) is methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate.
What is the SMILES notation for methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate?
The canonical SMILES for methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate is COC(=O)C1CC2(C(C)F)CCC12.
What is the InChIKey of methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate?
The InChIKey is BXRSJGYXYBRYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c1-6(11)10-4-3-8(10)7(5-10)9(12)13-2/h6-8H,3-5H2,1-2H3.
What are the key properties of methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate?
methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate has a molecular weight of 186.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-fluoroethyl)bicyclo[2.2.0]hexane-2-carboxylate is sourced from PubChem (CID 155021699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).