[1,3,3-trifluoro-2-(methylamino)propyl] carbamate

C5H9F3N2O2 — CID 175485430

IUPAC[1,3,3-trifluoro-2-(methylamino)propyl] carbamate
SMILESCNC(C(F)F)C(F)OC(N)=O
InChIInChI=1S/C5H9F3N2O2/c1-10-2(3(6)7)4(8)12-5(9)11/h2-4,10H,1H3,(H2,9,11)
InChIKeyLYWJNMJBYKWPGI-UHFFFAOYSA-N
MW186.13 g/mol
LogP0.23
Rot. Bonds4

About [1,3,3-trifluoro-2-(methylamino)propyl] carbamate

[1,3,3-trifluoro-2-(methylamino)propyl] carbamate (PubChem CID 175485430) has the molecular formula C5H9F3N2O2 and a molecular weight of 186.13 g/mol. Its IUPAC name is [1,3,3-trifluoro-2-(methylamino)propyl] carbamate.

Molecular Properties

Compound Name[1,3,3-trifluoro-2-(methylamino)propyl] carbamate
PubChem CID175485430
Molecular FormulaC5H9F3N2O2
Molecular Weight186.13 g/mol
Exact Mass186.06
IUPAC Name[1,3,3-trifluoro-2-(methylamino)propyl] carbamate
SMILESCNC(C(F)F)C(F)OC(N)=O
InChIInChI=1S/C5H9F3N2O2/c1-10-2(3(6)7)4(8)12-5(9)11/h2-4,10H,1H3,(H2,9,11)
InChIKeyLYWJNMJBYKWPGI-UHFFFAOYSA-N
XLogP0.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[amino(methylamino)methyl] carbamate
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[amino(carbamoyloxy)methyl] carbamate
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dimethyl 2-(methylamino)propanedioate;ethane
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3-hydroxybutan-2-yl carbamate
CID 20700654
methyl 1,2,3,4,4-pentafluorobutyl carbonate
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methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
(2R)-3,3-difluoro-2-(methylamino)propanoic acid
CID 150436276
silver;propan-2-amine;propan-2-yl carbamate
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Frequently Asked Questions

What is the IUPAC name of [1,3,3-trifluoro-2-(methylamino)propyl] carbamate?
The IUPAC name of [1,3,3-trifluoro-2-(methylamino)propyl] carbamate (CID 175485430) is [1,3,3-trifluoro-2-(methylamino)propyl] carbamate.
What is the SMILES notation for [1,3,3-trifluoro-2-(methylamino)propyl] carbamate?
The canonical SMILES for [1,3,3-trifluoro-2-(methylamino)propyl] carbamate is CNC(C(F)F)C(F)OC(N)=O.
What is the InChIKey of [1,3,3-trifluoro-2-(methylamino)propyl] carbamate?
The InChIKey is LYWJNMJBYKWPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O2/c1-10-2(3(6)7)4(8)12-5(9)11/h2-4,10H,1H3,(H2,9,11).
What are the key properties of [1,3,3-trifluoro-2-(methylamino)propyl] carbamate?
[1,3,3-trifluoro-2-(methylamino)propyl] carbamate has a molecular weight of 186.13 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3,3-trifluoro-2-(methylamino)propyl] carbamate is sourced from PubChem (CID 175485430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).