tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate

C19H20F3NO2 — CID 101450645

IUPACtert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2/c1-18(2,3)25-17(24)23-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)19(20,21)22/h4-12,16H,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyWDSOOUPPEWRBHW-MRXNPFEDSA-N
MW351.37 g/mol
LogP5.32
Rot. Bonds3

About tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate

tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 101450645) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID101450645
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Nametert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO2/c1-18(2,3)25-17(24)23-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)19(20,21)22/h4-12,16H,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyWDSOOUPPEWRBHW-MRXNPFEDSA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl Benzylcarbamate
CID 4615331
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tert-butyl N-[4-[3-(dibenzylamino)propylamino]butyl]carbamate
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tert-butyl N-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propylamino]cyclohexyl]carbamate
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tert-butyl N-[cyano(4-fluorophenyl)methyl]carbamate
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tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 15675183
tert-butyl N-(2-amino-1-phenylethyl)carbamate
CID 16740609
tert-butyl N-[(1S)-3-amino-1-phenylpropyl]carbamate
CID 26188507
tert-butyl N-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propylamino]butyl]carbamate
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tert-Butyl 3-((4-(trifluoromethyl)benzyl)amino)azetidine-1-carboxylate
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Methyl (2,2,2-trifluoro-1-phenylethyl) carbamate
CID 611751

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate (CID 101450645) is tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is WDSOOUPPEWRBHW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-18(2,3)25-17(24)23-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)19(20,21)22/h4-12,16H,1-3H3,(H,23,24)/t16-/m1/s1.
What are the key properties of tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate?
tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 351.37 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 101450645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).