methyl 1-(difluoromethyl)cyclopentane-1-carboxylate

C8H12F2O2 — CID 130648445

IUPACmethyl 1-(difluoromethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(F)F)CCCC1
InChIInChI=1S/C8H12F2O2/c1-12-7(11)8(6(9)10)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyQQFZVYFJSDWATQ-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.98
Rot. Bonds2

About methyl 1-(difluoromethyl)cyclopentane-1-carboxylate

methyl 1-(difluoromethyl)cyclopentane-1-carboxylate (PubChem CID 130648445) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is methyl 1-(difluoromethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(difluoromethyl)cyclopentane-1-carboxylate
PubChem CID130648445
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Namemethyl 1-(difluoromethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(F)F)CCCC1
InChIInChI=1S/C8H12F2O2/c1-12-7(11)8(6(9)10)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyQQFZVYFJSDWATQ-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(difluoromethyl)-1,1-dioxothiane-4-carboxylate
CID 165476267
methyl 1-(difluoromethyl)-3-oxocyclobutane-1-carboxylate
CID 146049588
methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate
CID 115012255
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
1-(difluoromethyl)cyclohexane-1-carboxamide
CID 130645581
methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
CID 154169422
methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate
CID 115020911
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
methyl 1-[(4-chlorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959110
methyl 2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298854
methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944325
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491

Frequently Asked Questions

What is the IUPAC name of methyl 1-(difluoromethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(difluoromethyl)cyclopentane-1-carboxylate (CID 130648445) is methyl 1-(difluoromethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(difluoromethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(difluoromethyl)cyclopentane-1-carboxylate is COC(=O)C1(C(F)F)CCCC1.
What is the InChIKey of methyl 1-(difluoromethyl)cyclopentane-1-carboxylate?
The InChIKey is QQFZVYFJSDWATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-12-7(11)8(6(9)10)4-2-3-5-8/h6H,2-5H2,1H3.
What are the key properties of methyl 1-(difluoromethyl)cyclopentane-1-carboxylate?
methyl 1-(difluoromethyl)cyclopentane-1-carboxylate has a molecular weight of 178.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(difluoromethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 130648445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).