tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate

C12H19F2NO2 — CID 171829556

IUPACtert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC(=C(F)F)C1
InChIInChI=1S/C12H19F2NO2/c1-12(2,3)17-11(16)15-9-6-4-5-8(7-9)10(13)14/h9H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyYQISAJOMERLVNA-SECBINFHSA-N
MW247.28 g/mol
LogP3.60
Rot. Bonds1

About tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate

tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate (PubChem CID 171829556) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate
PubChem CID171829556
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Nametert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC(=C(F)F)C1
InChIInChI=1S/C12H19F2NO2/c1-12(2,3)17-11(16)15-9-6-4-5-8(7-9)10(13)14/h9H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyYQISAJOMERLVNA-SECBINFHSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(3E)-3-(hydroxymethylidene)cyclohexyl]carbamate
CID 139566496
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-(4-methylidenecycloheptyl)carbamate
CID 167064848
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(3-ethylidenecyclopentyl)carbamate
CID 174757466
tert-butyl N-(7-methyl-3-bicyclo[4.1.0]hept-1(6)-enyl)carbamate
CID 158695035
methyl N-[4-(difluoromethylidene)cyclohexyl]carbamate
CID 141073755
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[(2S,3aR,7aS)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroinden-2-yl]carbamate
CID 99996619
tert-butyl N-(thian-3-yl)carbamate
CID 14024569
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate (CID 171829556) is tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCC(=C(F)F)C1.
What is the InChIKey of tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate?
The InChIKey is YQISAJOMERLVNA-SECBINFHSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-12(2,3)17-11(16)15-9-6-4-5-8(7-9)10(13)14/h9H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate?
tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate has a molecular weight of 247.28 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate is sourced from PubChem (CID 171829556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).