(4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate

C15H18F3NO4 — CID 21204299

IUPAC(4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
SMILESCC(C)(C)c1ccc(OC(=O)NC2(C(F)(F)F)OCCO2)cc1
InChIInChI=1S/C15H18F3NO4/c1-13(2,3)10-4-6-11(7-5-10)23-12(20)19-15(14(16,17)18)21-8-9-22-15/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyYEZVGVNWXZTZIY-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.34
Rot. Bonds2

About (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate

(4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate (PubChem CID 21204299) has the molecular formula C15H18F3NO4 and a molecular weight of 333.31 g/mol. Its IUPAC name is (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
PubChem CID21204299
Molecular FormulaC15H18F3NO4
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC Name(4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
SMILESCC(C)(C)c1ccc(OC(=O)NC2(C(F)(F)F)OCCO2)cc1
InChIInChI=1S/C15H18F3NO4/c1-13(2,3)10-4-6-11(7-5-10)23-12(20)19-15(14(16,17)18)21-8-9-22-15/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyYEZVGVNWXZTZIY-UHFFFAOYSA-N
XLogP3.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methylphenyl 2-(trifluoromethyl)-1,3-dioxolan-2-ylcarbamate
CID 2303438
4-(1,1,3,3-Tetramethylbutyl)phenyl 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethylcarbamate
CID 585036
4-(2,4,4-Trimethylpentan-2-YL)phenyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-YL]carbamate
CID 3831694
[4-(4,4,4-Trifluoro-2-methylbutan-2-yl)phenyl] carbamate
CID 67039044
(4-Tert-butylphenyl) 1,2-difluoroethyl carbonate
CID 67161936
2-[1-[4-(1,1,1-trifluoro-2-methylbutan-2-yl)phenoxy]ethoxy]ethyl N-methylcarbamate
CID 117731517
2-[1-[4-(1-fluoro-2-methylbutan-2-yl)phenoxy]ethoxy]ethyl N-methylcarbamate
CID 122660881
2-(4-tert-butyl-2-fluorophenoxy)ethyl N-tert-butylcarbamate
CID 123451561
[4-[1,1,1-trifluoro-4-hydroxy-2-(trifluoromethyl)butan-2-yl]phenyl] N-tert-butylcarbamate
CID 175001729
phenyl N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
CID 680729
4-Tert-butylphenyl 2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate
CID 1207986
4-Tert-butylphenyl [1,1-bis(trifluoromethyl)propyl]carbamate
CID 30448746

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
The IUPAC name of (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate (CID 21204299) is (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate.
What is the SMILES notation for (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
The canonical SMILES for (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate is CC(C)(C)c1ccc(OC(=O)NC2(C(F)(F)F)OCCO2)cc1.
What is the InChIKey of (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
The InChIKey is YEZVGVNWXZTZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4/c1-13(2,3)10-4-6-11(7-5-10)23-12(20)19-15(14(16,17)18)21-8-9-22-15/h4-7H,8-9H2,1-3H3,(H,19,20).
What are the key properties of (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
(4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate has a molecular weight of 333.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate is sourced from PubChem (CID 21204299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).