ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate

C7H12F3NO2 — CID 18439257

IUPACethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
SMILESCCOC(=O)N(C)C(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4-13-6(12)11(3)5(2)7(8,9)10/h5H,4H2,1-3H3
InChIKeyPYNBNNVJHHEEHZ-UHFFFAOYSA-N
MW199.17 g/mol
LogP2.03
Rot. Bonds2

About ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate

ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate (PubChem CID 18439257) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
PubChem CID18439257
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Nameethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate
SMILESCCOC(=O)N(C)C(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4-13-6(12)11(3)5(2)7(8,9)10/h5H,4H2,1-3H3
InChIKeyPYNBNNVJHHEEHZ-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, diethyl-, 2,2,2-trifluoroethyl ester
CID 10965508
2,2-difluoroethyl N,N-di(propan-2-yl)carbamate
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ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
CID 60762863
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 61068007
2,2,2-trifluoroethyl N-ethyl-N-methylcarbamate
CID 62734680
Ethyl 3,3-difluoroazetidine-1-carboxylate
CID 68260839
2,2,2-trifluoroethyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169675
1,1,2,2,3-pentafluoropropyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169678
2-fluoroethyl N-ethyl-N-(methoxymethyl)carbamate
CID 87169737
1,1,1,2,3,3-hexafluoropropan-2-yl N-ethyl-N-(methoxymethyl)carbamate
CID 87169746
2-fluoroethyl N,N-di(propan-2-yl)carbamate
CID 88996348
2-fluoroethyl N-methyl-N-propan-2-ylcarbamate
CID 89002925

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate?
The IUPAC name of ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate (CID 18439257) is ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate is CCOC(=O)N(C)C(C)C(F)(F)F.
What is the InChIKey of ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate?
The InChIKey is PYNBNNVJHHEEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4-13-6(12)11(3)5(2)7(8,9)10/h5H,4H2,1-3H3.
What are the key properties of ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate?
ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate has a molecular weight of 199.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(1,1,1-trifluoropropan-2-yl)carbamate is sourced from PubChem (CID 18439257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).