phenyl N-(1,1,2-trifluoroethyl)carbamate

C9H8F3NO2 — CID 155690482

IUPACphenyl N-(1,1,2-trifluoroethyl)carbamate
SMILESO=C(NC(F)(F)CF)Oc1ccccc1
InChIInChI=1S/C9H8F3NO2/c10-6-9(11,12)13-8(14)15-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyJWSVRDCBHAXJPS-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.34
Rot. Bonds3

About phenyl N-(1,1,2-trifluoroethyl)carbamate

phenyl N-(1,1,2-trifluoroethyl)carbamate (PubChem CID 155690482) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is phenyl N-(1,1,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Namephenyl N-(1,1,2-trifluoroethyl)carbamate
PubChem CID155690482
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Namephenyl N-(1,1,2-trifluoroethyl)carbamate
SMILESO=C(NC(F)(F)CF)Oc1ccccc1
InChIInChI=1S/C9H8F3NO2/c10-6-9(11,12)13-8(14)15-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyJWSVRDCBHAXJPS-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-phenoxycarbonylcarbamate
CID 11043392
2-methyl-2-(phenoxycarbonylamino)butanoic acid
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phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate
CID 61121026
phenyl N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 104862833
2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
CID 65266350
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
phenyl N-(4-isocyanato-2,4-dimethylpentan-2-yl)carbamate
CID 144619353
phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66876148
phenyl N-(2-fluorophenyl)carbamate
CID 3790948
phenyl N-(4-iodophenyl)carbamate
CID 73442286

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1,1,2-trifluoroethyl)carbamate?
The IUPAC name of phenyl N-(1,1,2-trifluoroethyl)carbamate (CID 155690482) is phenyl N-(1,1,2-trifluoroethyl)carbamate.
What is the SMILES notation for phenyl N-(1,1,2-trifluoroethyl)carbamate?
The canonical SMILES for phenyl N-(1,1,2-trifluoroethyl)carbamate is O=C(NC(F)(F)CF)Oc1ccccc1.
What is the InChIKey of phenyl N-(1,1,2-trifluoroethyl)carbamate?
The InChIKey is JWSVRDCBHAXJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-6-9(11,12)13-8(14)15-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14).
What are the key properties of phenyl N-(1,1,2-trifluoroethyl)carbamate?
phenyl N-(1,1,2-trifluoroethyl)carbamate has a molecular weight of 219.16 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1,1,2-trifluoroethyl)carbamate is sourced from PubChem (CID 155690482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).