1,1,1-trifluoropropan-2-yl N-phenylcarbamate

C10H10F3NO2 — CID 134123596

IUPAC1,1,1-trifluoropropan-2-yl N-phenylcarbamate
SMILESCC(OC(=O)Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-7(10(11,12)13)16-9(15)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChIKeyIRUOJKUZIULSIR-UHFFFAOYSA-N
MW233.19 g/mol
LogP3.19
Rot. Bonds2

About 1,1,1-trifluoropropan-2-yl N-phenylcarbamate

1,1,1-trifluoropropan-2-yl N-phenylcarbamate (PubChem CID 134123596) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl N-phenylcarbamate.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl N-phenylcarbamate
PubChem CID134123596
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name1,1,1-trifluoropropan-2-yl N-phenylcarbamate
SMILESCC(OC(=O)Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-7(10(11,12)13)16-9(15)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChIKeyIRUOJKUZIULSIR-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(phenylcarbamoyloxy)-4-(trifluoromethyl)hexanoic acid
CID 162565621
1,1,3,3,3-pentafluoro-2-(phenylcarbamoyloxy)propane-1-sulfonic acid
CID 129070483
[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate
CID 10061224
methyl 3-methyl-2-(phenylcarbamoyloxy)but-3-enoate
CID 22150990
CID 68594224
CID 68594224
2-chloropropan-2-yl N-phenylcarbamate
CID 70225555
3-methylbutyl N-phenylcarbamate
CID 69480810
(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
CID 160928096
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl N-phenylcarbamate?
The IUPAC name of 1,1,1-trifluoropropan-2-yl N-phenylcarbamate (CID 134123596) is 1,1,1-trifluoropropan-2-yl N-phenylcarbamate.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl N-phenylcarbamate?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl N-phenylcarbamate is CC(OC(=O)Nc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl N-phenylcarbamate?
The InChIKey is IRUOJKUZIULSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-7(10(11,12)13)16-9(15)14-8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15).
What are the key properties of 1,1,1-trifluoropropan-2-yl N-phenylcarbamate?
1,1,1-trifluoropropan-2-yl N-phenylcarbamate has a molecular weight of 233.19 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl N-phenylcarbamate is sourced from PubChem (CID 134123596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).