tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate

C14H18F3NO3 — CID 58686888

IUPACtert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-13(2,3)21-12(19)18-8-10-5-4-6-11(7-10)20-9-14(15,16)17/h4-7H,8-9H2,1-3H3,(H,18,19)
InChIKeyUWABMQNPAYLFOK-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate

tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate (PubChem CID 58686888) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
PubChem CID58686888
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Nametert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-13(2,3)21-12(19)18-8-10-5-4-6-11(7-10)20-9-14(15,16)17/h4-7H,8-9H2,1-3H3,(H,18,19)
InChIKeyUWABMQNPAYLFOK-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
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tert-butyl N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 55921514
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
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2-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471043
1-(4-hydroxy-3-methylbutan-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111454340
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate (CID 58686888) is tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate?
The InChIKey is UWABMQNPAYLFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-13(2,3)21-12(19)18-8-10-5-4-6-11(7-10)20-9-14(15,16)17/h4-7H,8-9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate?
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate has a molecular weight of 305.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate is sourced from PubChem (CID 58686888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).