tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate

C14H25F2NO2 — CID 123839276

IUPACtert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate
SMILESCCC1C(N(C)C(=O)OC(C)(C)C)CCCC1(F)F
InChIInChI=1S/C14H25F2NO2/c1-6-10-11(8-7-9-14(10,15)16)17(5)12(18)19-13(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyDCINDEBACQMSRP-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.07
Rot. Bonds2

About tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate

tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate (PubChem CID 123839276) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate
PubChem CID123839276
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC Nametert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate
SMILESCCC1C(N(C)C(=O)OC(C)(C)C)CCCC1(F)F
InChIInChI=1S/C14H25F2NO2/c1-6-10-11(8-7-9-14(10,15)16)17(5)12(18)19-13(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyDCINDEBACQMSRP-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclohexyl]carbamate
CID 96581710
tert-butyl N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]carbamate
CID 102581015
tert-butyl (2S,4S)-2-(cyclohexylmethyl)-4-fluoropyrrolidine-1-carboxylate
CID 132938762
tert-butyl (2S)-2-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxylate
CID 134962312
tert-butyl (3aS,6S,7aS)-6-fluoro-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 134962504
Tert-butyl 2-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxylate
CID 178338073
Carbamic acid, N-(4,4-difluorocyclohexyl)-N-methyl-, 1,1-dimethylethyl ester
CID 66891472
tert-butyl N-[(1R,2S)-2-[(4,4-difluoropiperidin-1-yl)methyl]cyclohexyl]-N-methylcarbamate
CID 71159938
tert-butyl N-[2-(difluoromethyl)cyclohexyl]carbamate
CID 71756488
tert-butyl (2S)-2,6-diethyl-4,4-difluoro-3-methylpiperidine-1-carboxylate
CID 90328364
tert-butyl N-(3,3-difluoro-2-methylcyclohexyl)carbamate
CID 90998232
tert-butyl N-[2-[3,3-difluoro-2-(methylamino)cyclohexyl]ethyl]carbamate
CID 123730240

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate (CID 123839276) is tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate is CCC1C(N(C)C(=O)OC(C)(C)C)CCCC1(F)F.
What is the InChIKey of tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate?
The InChIKey is DCINDEBACQMSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c1-6-10-11(8-7-9-14(10,15)16)17(5)12(18)19-13(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate?
tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate has a molecular weight of 277.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethyl-3,3-difluorocyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 123839276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).