tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C18H24FNO2 — CID 140989394

IUPACtert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1(c1ccc(F)cc1)CC2
InChIInChI=1S/C18H24FNO2/c1-17(2,3)22-16(21)20-15-5-4-11-18(20,12-10-15)13-6-8-14(19)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyMOVZRGQKBQRSEZ-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.60
Rot. Bonds1

About tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 140989394) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID140989394
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Nametert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1(c1ccc(F)cc1)CC2
InChIInChI=1S/C18H24FNO2/c1-17(2,3)22-16(21)20-15-5-4-11-18(20,12-10-15)13-6-8-14(19)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyMOVZRGQKBQRSEZ-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 1-(3-aminophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 154484935
tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 10684785
tert-butyl 1-(1-hydroxy-2-methylpropan-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67328727
tert-butyl 1-benzoyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 67286302
tert-butyl 3-[2-(4-fluorophenoxy)ethyl]-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171955019
tert-butyl 7-(4-fluorophenyl)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171965076
tert-butyl 4-[2-[[1-(4-fluorophenyl)cyclopentyl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 56503091
tert-butyl 5-methoxy-4-[[1-(4-methoxycarbonylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methyl]-7-methylindole-1-carboxylate
CID 174348465
tert-butyl 1-[1-(3,4-dichlorophenyl)-2-methyl-1-oxopropan-2-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67329492
tert-butyl 3-[2-(4-fluorophenyl)acetyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945103
tert-butyl 4-[4-[(4-fluorophenyl)methyl]phenyl]-4-hydroxypiperidine-1-carboxylate
CID 22599961
tert-butyl 2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724029

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 140989394) is tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCCC1(c1ccc(F)cc1)CC2.
What is the InChIKey of tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is MOVZRGQKBQRSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-17(2,3)22-16(21)20-15-5-4-11-18(20,12-10-15)13-6-8-14(19)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 305.39 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 140989394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).