3,3,3-trifluoropropyl carbamate

C4H6F3NO2 — CID 3768992

IUPAC3,3,3-trifluoropropyl carbamate
SMILESNC(=O)OCCC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)1-2-10-3(8)9/h1-2H2,(H2,8,9)
InChIKeyGZKKMNSMVCFHPM-UHFFFAOYSA-N
MW157.09 g/mol
LogP1.03
Rot. Bonds2

About 3,3,3-trifluoropropyl carbamate

3,3,3-trifluoropropyl carbamate (PubChem CID 3768992) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl carbamate.

Molecular Properties

Compound Name3,3,3-trifluoropropyl carbamate
PubChem CID3768992
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name3,3,3-trifluoropropyl carbamate
SMILESNC(=O)OCCC(F)(F)F
InChIInChI=1S/C4H6F3NO2/c5-4(6,7)1-2-10-3(8)9/h1-2H2,(H2,8,9)
InChIKeyGZKKMNSMVCFHPM-UHFFFAOYSA-N
XLogP1.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl carbamate?
The IUPAC name of 3,3,3-trifluoropropyl carbamate (CID 3768992) is 3,3,3-trifluoropropyl carbamate.
What is the SMILES notation for 3,3,3-trifluoropropyl carbamate?
The canonical SMILES for 3,3,3-trifluoropropyl carbamate is NC(=O)OCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropyl carbamate?
The InChIKey is GZKKMNSMVCFHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c5-4(6,7)1-2-10-3(8)9/h1-2H2,(H2,8,9).
What are the key properties of 3,3,3-trifluoropropyl carbamate?
3,3,3-trifluoropropyl carbamate has a molecular weight of 157.09 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl carbamate is sourced from PubChem (CID 3768992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).