methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate

C9H13F2NO2 — CID 141073755

IUPACmethyl N-[4-(difluoromethylidene)cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(=C(F)F)CC1
InChIInChI=1S/C9H13F2NO2/c1-14-9(13)12-7-4-2-6(3-5-7)8(10)11/h7H,2-5H2,1H3,(H,12,13)
InChIKeyNEXGJSQWCVZAHS-UHFFFAOYSA-N
MW205.20 g/mol
LogP2.44
Rot. Bonds1

About methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate

methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate (PubChem CID 141073755) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(difluoromethylidene)cyclohexyl]carbamate
PubChem CID141073755
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Namemethyl N-[4-(difluoromethylidene)cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(=C(F)F)CC1
InChIInChI=1S/C9H13F2NO2/c1-14-9(13)12-7-4-2-6(3-5-7)8(10)11/h7H,2-5H2,1H3,(H,12,13)
InChIKeyNEXGJSQWCVZAHS-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
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methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate
CID 171829556
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494
methyl N-[1-(2,2-dimethylpropyl)piperidin-4-yl]carbamate
CID 168761202
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
methyl N-[4-(hydroperoxymethyl)cyclohexyl]carbamate
CID 20642197
methyl N-(5-oxooxolan-2-yl)carbamate
CID 10511146
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate (CID 141073755) is methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate is COC(=O)NC1CCC(=C(F)F)CC1.
What is the InChIKey of methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate?
The InChIKey is NEXGJSQWCVZAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-14-9(13)12-7-4-2-6(3-5-7)8(10)11/h7H,2-5H2,1H3,(H,12,13).
What are the key properties of methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate?
methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate has a molecular weight of 205.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate is sourced from PubChem (CID 141073755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).