(3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate

C15H19F2NO2 — CID 175348079

IUPAC(3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate
SMILESCC(C)(C)N(C(=O)Oc1cc(F)cc(F)c1)C1CCC1
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)18(12-5-4-6-12)14(19)20-13-8-10(16)7-11(17)9-13/h7-9,12H,4-6H2,1-3H3
InChIKeyFDHRKJYPKZAFCB-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.12
Rot. Bonds2

About (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate

(3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate (PubChem CID 175348079) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate.

Molecular Properties

Compound Name(3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate
PubChem CID175348079
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate
SMILESCC(C)(C)N(C(=O)Oc1cc(F)cc(F)c1)C1CCC1
InChIInChI=1S/C15H19F2NO2/c1-15(2,3)18(12-5-4-6-12)14(19)20-13-8-10(16)7-11(17)9-13/h7-9,12H,4-6H2,1-3H3
InChIKeyFDHRKJYPKZAFCB-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate
CID 91283266
methyl N-tert-butyl-N-(oxan-4-yl)carbamate
CID 23087104
methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate
CID 62784881
(3,5-difluorophenyl) 2-hydroxypropanoate
CID 117051136
tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
CID 146570715
methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 162490802
tert-butyl 4-(3-fluoro-5-formylphenoxy)piperidine-1-carboxylate
CID 86666498
1-[[2-(3,5-difluorophenoxy)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122013884
(3-bromo-5-fluorophenyl) cyclohexanecarboxylate
CID 137371569
methyl N-tert-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
CID 59831582
tert-butyl-[1-[3-(5-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]carbamic acid
CID 67854468
[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate
CID 140704596

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate?
The IUPAC name of (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate (CID 175348079) is (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate.
What is the SMILES notation for (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate?
The canonical SMILES for (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate is CC(C)(C)N(C(=O)Oc1cc(F)cc(F)c1)C1CCC1.
What is the InChIKey of (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate?
The InChIKey is FDHRKJYPKZAFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-15(2,3)18(12-5-4-6-12)14(19)20-13-8-10(16)7-11(17)9-13/h7-9,12H,4-6H2,1-3H3.
What are the key properties of (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate?
(3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate has a molecular weight of 283.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl) N-tert-butyl-N-cyclobutylcarbamate is sourced from PubChem (CID 175348079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).