2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate

C8H12F3NO2 — CID 78983348

IUPAC2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate
SMILESC=CCN(CC)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-3-5-12(4-2)7(13)14-6-8(9,10)11/h3H,1,4-6H2,2H3
InChIKeyVPLXLYPJYVJXRW-UHFFFAOYSA-N
MW211.18 g/mol
LogP2.19
Rot. Bonds4

About 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate

2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate (PubChem CID 78983348) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate
PubChem CID78983348
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate
SMILESC=CCN(CC)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-3-5-12(4-2)7(13)14-6-8(9,10)11/h3H,1,4-6H2,2H3
InChIKeyVPLXLYPJYVJXRW-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 65173475
2,2,2-trifluoroethyl N-[(3,4-difluorophenyl)methyl]-N-ethylcarbamate
CID 61066669
2,2,2-trifluoroethyl N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcarbamate
CID 60705959
pentyl N,N-bis(prop-2-enyl)carbamate
CID 88848482
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603
methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
CID 65173620
2,2,2-trifluoroethyl N-(2-amino-2-oxoethyl)-N-butylcarbamate
CID 65173618
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
3-tert-butyl-1-ethyl-1-prop-2-enylurea
CID 115695087
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
CID 62068097
2,2,2-trifluoroethyl N,N-bis(cyanomethyl)carbamate
CID 65173383

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate (CID 78983348) is 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate is C=CCN(CC)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate?
The InChIKey is VPLXLYPJYVJXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-3-5-12(4-2)7(13)14-6-8(9,10)11/h3H,1,4-6H2,2H3.
What are the key properties of 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate?
2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate has a molecular weight of 211.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 78983348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).