tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate

C11H20F2N2O2 — CID 76672221

IUPACtert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1C(N)CCCC1(F)F
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-8-7(14)5-4-6-11(8,12)13/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyKYRXOCVGTONVGN-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.03
Rot. Bonds1

About tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate

tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate (PubChem CID 76672221) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate
PubChem CID76672221
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Nametert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1C(N)CCCC1(F)F
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-8-7(14)5-4-6-11(8,12)13/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyKYRXOCVGTONVGN-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1S,2R)-3,3-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 56590455
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
9H-fluoren-9-ylmethyl N-[(1R,6S)-2,2-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 140613264
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-[(1S,2S)-2-azido-3,3-difluorocyclohexyl]carbamate
CID 123311477
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate (CID 76672221) is tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate is CC(C)(C)OC(=O)NC1C(N)CCCC1(F)F.
What is the InChIKey of tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate?
The InChIKey is KYRXOCVGTONVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-8-7(14)5-4-6-11(8,12)13/h7-8H,4-6,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate?
tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate has a molecular weight of 250.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate is sourced from PubChem (CID 76672221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).