tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate

C12H23FN2O2 — CID 130067864

IUPACtert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(F)CCCC(N)C1
InChIInChI=1S/C12H23FN2O2/c1-11(2,3)17-10(16)15-8-12(13)6-4-5-9(14)7-12/h9H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyHJHXPNAMKWYCOQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.12
Rot. Bonds2

About tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate

tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate (PubChem CID 130067864) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
PubChem CID130067864
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Nametert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(F)CCCC(N)C1
InChIInChI=1S/C12H23FN2O2/c1-11(2,3)17-10(16)15-8-12(13)6-4-5-9(14)7-12/h9H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyHJHXPNAMKWYCOQ-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
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tert-butyl N-[[1-fluoro-3-(prop-2-enoylamino)cyclobutyl]methyl]carbamate
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tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]carbamate
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tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[[1-hydroxy-3-(hydroxymethyl)cyclobutyl]methyl]carbamate
CID 167737736
tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate (CID 130067864) is tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate is CC(C)(C)OC(=O)NCC1(F)CCCC(N)C1.
What is the InChIKey of tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate?
The InChIKey is HJHXPNAMKWYCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-11(2,3)17-10(16)15-8-12(13)6-4-5-9(14)7-12/h9H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate?
tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate has a molecular weight of 246.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate is sourced from PubChem (CID 130067864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).