tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate

C12H22FNO3 — CID 58484028

IUPACtert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate
SMILESCOC1CCCC(F)C1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22FNO3/c1-12(2,3)17-11(15)14-10-8(13)6-5-7-9(10)16-4/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyWDCXSYMHZNAWLD-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.42
Rot. Bonds2

About tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate

tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate (PubChem CID 58484028) has the molecular formula C12H22FNO3 and a molecular weight of 247.31 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate
PubChem CID58484028
Molecular FormulaC12H22FNO3
Molecular Weight247.31 g/mol
Exact Mass247.16
IUPAC Nametert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate
SMILESCOC1CCCC(F)C1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22FNO3/c1-12(2,3)17-11(15)14-10-8(13)6-5-7-9(10)16-4/h8-10H,5-7H2,1-4H3,(H,14,15)
InChIKeyWDCXSYMHZNAWLD-UHFFFAOYSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl ((1R,2S)-2-hydroxycyclohexyl)carbaMate
CID 14249472
(1S,2S)-trans-N-Boc-2-Aminocyclohexanol
CID 10013520
(1R,2R)-trans-N-Boc-2-Aminocyclohexanol
CID 10921888
tert-butyl ((1S,2R)-2-hydroxycyclohexyl)carbaMate
CID 11333385
rac-tert-butyl N-{[(2R,4R)-4-aminooxan-2-yl]methyl}carbamate
CID 137964418
tert-butyl N-[(1r,4r)-4-(2-aminoethoxy)cyclohexyl]carbamate hydrochloride
CID 170912926
tert-butyl N-((4-aminooxan-2-yl)methyl)carbamate
CID 172641604
cyclobutyl N-[(1S)-2,2-dimethoxycyclohexyl]carbamate
CID 129559378
tert-Butyl ((1R,2S)-3,3-difluoro-2-hydroxycyclohexyl)carbamate
CID 58046418
tert-butyl N-[(1S,6R)-2,2-difluoro-6-hydroxycyclohexyl]carbamate
CID 58385885
tert-butyl N-[(1R,6S)-2,2-difluoro-6-hydroxycyclohexyl]carbamate
CID 59604037
tert-butyl (1S,2R)-3,3-difluoro-2-hydroxycyclohexylcarbamate
CID 68077665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate (CID 58484028) is tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate is COC1CCCC(F)C1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate?
The InChIKey is WDCXSYMHZNAWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO3/c1-12(2,3)17-11(15)14-10-8(13)6-5-7-9(10)16-4/h8-10H,5-7H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate?
tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate has a molecular weight of 247.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-6-methoxycyclohexyl)carbamate is sourced from PubChem (CID 58484028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).