tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate

C16H22FNO2 — CID 167553603

IUPACtert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO2/c1-16(2,3)20-15(19)18-14-9-12(10-14)7-11-5-4-6-13(17)8-11/h4-6,8,12,14H,7,9-10H2,1-3H3,(H,18,19)
InChIKeyGJPLEVKAHVEQSX-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.67
Rot. Bonds3

About tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate

tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate (PubChem CID 167553603) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate
PubChem CID167553603
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H22FNO2/c1-16(2,3)20-15(19)18-14-9-12(10-14)7-11-5-4-6-13(17)8-11/h4-6,8,12,14H,7,9-10H2,1-3H3,(H,18,19)
InChIKeyGJPLEVKAHVEQSX-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 86277339
tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
CID 167738140
tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
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tert-butyl N-[(1S)-2-(3-fluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 89063581
tert-butyl (3R)-3-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxylate
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tert-butyl N-[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl]carbamate
CID 68615181
tert-butyl N-[1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 52682416
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
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tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
tert-butyl N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 68902335

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate (CID 167553603) is tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Cc2cccc(F)c2)C1.
What is the InChIKey of tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate?
The InChIKey is GJPLEVKAHVEQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-16(2,3)20-15(19)18-14-9-12(10-14)7-11-5-4-6-13(17)8-11/h4-6,8,12,14H,7,9-10H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate?
tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate has a molecular weight of 279.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate is sourced from PubChem (CID 167553603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).