methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate

C6H10F3NO2 — CID 115590933

IUPACmethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate
SMILESCOC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-10(5(11)12-2)4-3-6(7,8)9/h3-4H2,1-2H3
InChIKeyYXQVJHHDYRPGET-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.64
Rot. Bonds2

About methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate

methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate (PubChem CID 115590933) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate
PubChem CID115590933
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Namemethyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate
SMILESCOC(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-10(5(11)12-2)4-3-6(7,8)9/h3-4H2,1-2H3
InChIKeyYXQVJHHDYRPGET-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate?
The IUPAC name of methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate (CID 115590933) is methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate.
What is the SMILES notation for methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate?
The canonical SMILES for methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate is COC(=O)N(C)CCC(F)(F)F.
What is the InChIKey of methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate?
The InChIKey is YXQVJHHDYRPGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-10(5(11)12-2)4-3-6(7,8)9/h3-4H2,1-2H3.
What are the key properties of methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate?
methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate has a molecular weight of 185.14 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-(3,3,3-trifluoropropyl)carbamate is sourced from PubChem (CID 115590933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).