1,4,6-trifluorohex-1-en-3-yl carbamate

C7H10F3NO2 — CID 175485462

IUPAC1,4,6-trifluorohex-1-en-3-yl carbamate
SMILESNC(=O)OC(C=CF)C(F)CCF
InChIInChI=1S/C7H10F3NO2/c8-3-1-5(10)6(2-4-9)13-7(11)12/h2,4-6H,1,3H2,(H2,11,12)
InChIKeyQTDZJTOTKUGEMW-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.63
Rot. Bonds5

About 1,4,6-trifluorohex-1-en-3-yl carbamate

1,4,6-trifluorohex-1-en-3-yl carbamate (PubChem CID 175485462) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1,4,6-trifluorohex-1-en-3-yl carbamate.

Molecular Properties

Compound Name1,4,6-trifluorohex-1-en-3-yl carbamate
PubChem CID175485462
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name1,4,6-trifluorohex-1-en-3-yl carbamate
SMILESNC(=O)OC(C=CF)C(F)CCF
InChIInChI=1S/C7H10F3NO2/c8-3-1-5(10)6(2-4-9)13-7(11)12/h2,4-6H,1,3H2,(H2,11,12)
InChIKeyQTDZJTOTKUGEMW-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trifluorohex-1-en-3-yl carbamate?
The IUPAC name of 1,4,6-trifluorohex-1-en-3-yl carbamate (CID 175485462) is 1,4,6-trifluorohex-1-en-3-yl carbamate.
What is the SMILES notation for 1,4,6-trifluorohex-1-en-3-yl carbamate?
The canonical SMILES for 1,4,6-trifluorohex-1-en-3-yl carbamate is NC(=O)OC(C=CF)C(F)CCF.
What is the InChIKey of 1,4,6-trifluorohex-1-en-3-yl carbamate?
The InChIKey is QTDZJTOTKUGEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-3-1-5(10)6(2-4-9)13-7(11)12/h2,4-6H,1,3H2,(H2,11,12).
What are the key properties of 1,4,6-trifluorohex-1-en-3-yl carbamate?
1,4,6-trifluorohex-1-en-3-yl carbamate has a molecular weight of 197.16 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trifluorohex-1-en-3-yl carbamate is sourced from PubChem (CID 175485462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).