tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate

C12H21F2NO4 — CID 19077660

IUPACtert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(N)=O.COC(=O)C1CCC(F)C1F
InChIInChI=1S/C7H10F2O2.C5H11NO2/c1-11-7(10)4-2-3-5(8)6(4)9;1-5(2,3)8-4(6)7/h4-6H,2-3H2,1H3;1-3H3,(H2,6,7)
InChIKeyXCVGIEAKFACEGJ-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.13
Rot. Bonds1

About tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate

tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate (PubChem CID 19077660) has the molecular formula C12H21F2NO4 and a molecular weight of 281.30 g/mol. Its IUPAC name is tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate
PubChem CID19077660
Molecular FormulaC12H21F2NO4
Molecular Weight281.30 g/mol
Exact Mass281.14
IUPAC Nametert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(N)=O.COC(=O)C1CCC(F)C1F
InChIInChI=1S/C7H10F2O2.C5H11NO2/c1-11-7(10)4-2-3-5(8)6(4)9;1-5(2,3)8-4(6)7/h4-6H,2-3H2,1H3;1-3H3,(H2,6,7)
InChIKeyXCVGIEAKFACEGJ-UHFFFAOYSA-N
XLogP2.13
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,3-difluorocyclopentane-1-carboxylate
CID 19077661
methyl 2,3-difluorocyclobutane-1-carboxylate
CID 175603308
trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
CID 70286212
1-O-tert-butyl 3-O-methyl 4-aminocyclohexane-1,3-dicarboxylate
CID 71032749
tert-butyl carbamate;cyclobutanol
CID 143474652
4-O-tert-butyl 2-O-methyl bicyclo[3.1.0]hexane-2,4-dicarboxylate
CID 53488450
tert-butyl carbamate;1,4-diazabicyclo[2.2.2]octane
CID 130276490
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846
cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate
CID 11682154
tert-butyl carbamate;molecular nitrogen
CID 176888665
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate?
The IUPAC name of tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate (CID 19077660) is tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate is CC(C)(C)OC(N)=O.COC(=O)C1CCC(F)C1F.
What is the InChIKey of tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate?
The InChIKey is XCVGIEAKFACEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2.C5H11NO2/c1-11-7(10)4-2-3-5(8)6(4)9;1-5(2,3)8-4(6)7/h4-6H,2-3H2,1H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate?
tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate has a molecular weight of 281.30 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;methyl 2,3-difluorocyclopentane-1-carboxylate is sourced from PubChem (CID 19077660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).