8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane

C10H18F3NO2 — CID 139387201

IUPAC8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane
SMILESFC(F)(F)CN1CCCOCCOCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)9-14-3-1-5-15-7-8-16-6-2-4-14/h1-9H2
InChIKeyWGJYDOSXTSPXJX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.68
Rot. Bonds1

About 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane

8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane (PubChem CID 139387201) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane
PubChem CID139387201
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane
SMILESFC(F)(F)CN1CCCOCCOCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)9-14-3-1-5-15-7-8-16-6-2-4-14/h1-9H2
InChIKeyWGJYDOSXTSPXJX-UHFFFAOYSA-N
XLogP1.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-4,10-bis(2,2,2-trifluoroethyl)-16,21-dioxa-1,4,7,10,13-pentazabicyclo[11.5.5]tricosane
CID 174301969
2-methyl-1-(1,4-oxazepan-4-yl)propan-2-ol
CID 62972933
4-(3-bromo-2,2-dimethylpropyl)-1,4-oxazepane
CID 64997840
1-propyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 176694162
1-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
2-[(3S)-oxan-3-yl]-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 129402150
4-(2,2,3,3-tetrafluoropropyl)morpholine
CID 12554036
1,4-oxazepan-4-ylmethanethiol
CID 167082217
4-methyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 107407980
potassium trifluoro(1,4-oxazepan-4-ylmethyl)boranuide
CID 63704106
4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide
CID 122269592
5-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 43253140

Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane?
The IUPAC name of 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane (CID 139387201) is 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane.
What is the SMILES notation for 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane?
The canonical SMILES for 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane is FC(F)(F)CN1CCCOCCOCCC1.
What is the InChIKey of 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane?
The InChIKey is WGJYDOSXTSPXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)9-14-3-1-5-15-7-8-16-6-2-4-14/h1-9H2.
What are the key properties of 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane?
8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane has a molecular weight of 241.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane is sourced from PubChem (CID 139387201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).