tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate

C15H19BrFNO2 — CID 58229889

IUPACtert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC(F)C1
InChIInChI=1S/C15H19BrFNO2/c1-14(2,3)20-13(19)18-15(8-12(17)9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,19)
InChIKeyLQEWFHSJWUBUNZ-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.30
Rot. Bonds2

About tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate

tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate (PubChem CID 58229889) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
PubChem CID58229889
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Nametert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC(F)C1
InChIInChI=1S/C15H19BrFNO2/c1-14(2,3)20-13(19)18-15(8-12(17)9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,19)
InChIKeyLQEWFHSJWUBUNZ-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
cis-methyl (1S,2S)-2-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 93047912
tert-butyl N-[1-[4-(6-amino-4-phenylpyridazin-3-yl)phenyl]-3-fluorocyclobutyl]carbamate
CID 141491058
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
CID 129056408
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
CID 118564830
tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate
CID 167890298
tert-butyl N-[1-(3-bromophenyl)-3,3-dimethoxycyclobutyl]carbamate
CID 118996733
tert-butyl N-[1-(4-cyanophenyl)cyclobutyl]carbamate
CID 46856381
tert-butyl (1R)-3-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylate
CID 101469761
[4-[2-[[6-[4-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenyl-3-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-methylcarbamic acid
CID 121438748
tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
CID 69234723

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate (CID 58229889) is tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC(F)C1.
What is the InChIKey of tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate?
The InChIKey is LQEWFHSJWUBUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-14(2,3)20-13(19)18-15(8-12(17)9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate?
tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate has a molecular weight of 344.22 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate is sourced from PubChem (CID 58229889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).