tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate

C15H19F2NO2 — CID 171921911

IUPACtert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)CC(F)(F)C1
InChIInChI=1S/C15H19F2NO2/c1-13(2,3)20-12(19)18-14(9-15(16,17)10-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyPSLWBPJBVPAABB-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.84
Rot. Bonds2

About tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate

tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate (PubChem CID 171921911) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
PubChem CID171921911
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nametert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)CC(F)(F)C1
InChIInChI=1S/C15H19F2NO2/c1-13(2,3)20-12(19)18-14(9-15(16,17)10-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyPSLWBPJBVPAABB-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3,3-difluoro-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 152811384
tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate
CID 167890298
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenylphenyl)azetidine-1-carboxylate
CID 166608186
tert-butyl N-[1-(3-bromophenyl)-3,3-dimethoxycyclobutyl]carbamate
CID 118996733
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
tert-butyl N-[1-(4-bromophenyl)-3-fluorocyclobutyl]carbamate
CID 58229889
tert-butyl N-[3,3-difluoro-1-(2H-triazol-4-yl)cyclopentyl]carbamate
CID 154685457
tert-butyl N-[1-(3-aminophenyl)cyclobutyl]carbamate
CID 22981091
sodium 3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 118957644
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
CID 118564830
tert-butyl N-(3-benzyl-5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)carbamate
CID 139713311

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate (CID 171921911) is tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate is CC(C)(C)OC(=O)NC1(c2ccccc2)CC(F)(F)C1.
What is the InChIKey of tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate?
The InChIKey is PSLWBPJBVPAABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-13(2,3)20-12(19)18-14(9-15(16,17)10-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate?
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate has a molecular weight of 283.32 g/mol, XLogP of 3.84, 2 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-difluoro-1-phenylcyclobutyl)carbamate is sourced from PubChem (CID 171921911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).