methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate

C9H14F2O3 — CID 154169422

IUPACmethyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(OCC(F)F)CCCC1
InChIInChI=1S/C9H14F2O3/c1-13-8(12)9(4-2-3-5-9)14-6-7(10)11/h7H,2-6H2,1H3
InChIKeyCATKXYKZIDOAJK-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.75
Rot. Bonds4

About methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate

methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate (PubChem CID 154169422) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
PubChem CID154169422
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Namemethyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(OCC(F)F)CCCC1
InChIInChI=1S/C9H14F2O3/c1-13-8(12)9(4-2-3-5-9)14-6-7(10)11/h7H,2-6H2,1H3
InChIKeyCATKXYKZIDOAJK-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-prop-2-enoxycyclohexane-1-carboxylate
CID 130466447
methyl 1-(difluoromethyl)cyclopentane-1-carboxylate
CID 130648445
methyl 1-(4-butylphenoxy)cyclopentane-1-carboxylate
CID 143039549
methyl 3-methoxypiperidine-3-carboxylate
CID 165438540
2-methyl-1-[1-(2-methylpropoxy)cyclohexyl]propan-1-one
CID 176614695
methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
CID 43811188
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate
CID 154931265
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 82006256
methyl 2-[2-(2,2-difluoroethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxylate
CID 82006966
methyl 1-(cyclopropylamino)-3-(2,2-difluoroethoxy)cyclohexane-1-carboxylate
CID 82007452
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate (CID 154169422) is methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate is COC(=O)C1(OCC(F)F)CCCC1.
What is the InChIKey of methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
The InChIKey is CATKXYKZIDOAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3/c1-13-8(12)9(4-2-3-5-9)14-6-7(10)11/h7H,2-6H2,1H3.
What are the key properties of methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate?
methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate has a molecular weight of 208.20 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 154169422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).