tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate

C15H20F4N2O2 — CID 103389891

IUPACtert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C15H20F4N2O2/c1-9(8-20-13(22)23-14(2,3)4)21-12-7-10(15(17,18)19)5-6-11(12)16/h5-7,9,21H,8H2,1-4H3,(H,20,22)
InChIKeyFRCBKCZEWNQYQE-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.17
Rot. Bonds4

About tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate

tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate (PubChem CID 103389891) has the molecular formula C15H20F4N2O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
PubChem CID103389891
Molecular FormulaC15H20F4N2O2
Molecular Weight336.33 g/mol
Exact Mass336.15
IUPAC Nametert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C15H20F4N2O2/c1-9(8-20-13(22)23-14(2,3)4)21-12-7-10(15(17,18)19)5-6-11(12)16/h5-7,9,21H,8H2,1-4H3,(H,20,22)
InChIKeyFRCBKCZEWNQYQE-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-fluoro-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]benzoate
CID 103388148
tert-butyl N-[2-[3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387055
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299
tert-butyl N-[2-(2-bromo-5-fluoroanilino)propyl]carbamate
CID 107632654
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858
2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 55144774
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
methyl 4-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]benzoate
CID 103388774
tert-butyl N-[2-(5-cyano-3-fluoro-2-methylanilino)propyl]carbamate
CID 103388659
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
CID 103388683
tert-butyl N-[2-(5-chloro-2-nitroanilino)propyl]carbamate
CID 103388184
methyl 3-amino-2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 114242293

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate (CID 103389891) is tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate?
The InChIKey is FRCBKCZEWNQYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O2/c1-9(8-20-13(22)23-14(2,3)4)21-12-7-10(15(17,18)19)5-6-11(12)16/h5-7,9,21H,8H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate?
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate has a molecular weight of 336.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate is sourced from PubChem (CID 103389891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).