2,2,2-trifluoroethoxycycloheptane

C9H15F3O — CID 148866146

IUPAC2,2,2-trifluoroethoxycycloheptane
SMILESFC(F)(F)COC1CCCCCC1
InChIInChI=1S/C9H15F3O/c10-9(11,12)7-13-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyPAGMRXYSIVBYAH-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.29
Rot. Bonds2

About 2,2,2-trifluoroethoxycycloheptane

2,2,2-trifluoroethoxycycloheptane (PubChem CID 148866146) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethoxycycloheptane.

Molecular Properties

Compound Name2,2,2-trifluoroethoxycycloheptane
PubChem CID148866146
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2,2,2-trifluoroethoxycycloheptane
SMILESFC(F)(F)COC1CCCCCC1
InChIInChI=1S/C9H15F3O/c10-9(11,12)7-13-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyPAGMRXYSIVBYAH-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-4-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 67483352
1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 21137277
3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane
CID 130481076
1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane
CID 62110594
1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane
CID 66345295
[2-(bromomethyl)-2-ethylbutoxy]cycloheptane
CID 64998528
1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid
CID 59562786
ethoxycyclooctane
CID 13427982
cyclooctyloxymethylsilane
CID 157063356
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
1-ethynyl-2-(2,2,2-trifluoroethoxy)cyclohexane
CID 13485137
1-amino-3-cyclohexyloxy-2-cyclopropylpropan-2-ol
CID 64812531

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethoxycycloheptane?
The IUPAC name of 2,2,2-trifluoroethoxycycloheptane (CID 148866146) is 2,2,2-trifluoroethoxycycloheptane.
What is the SMILES notation for 2,2,2-trifluoroethoxycycloheptane?
The canonical SMILES for 2,2,2-trifluoroethoxycycloheptane is FC(F)(F)COC1CCCCCC1.
What is the InChIKey of 2,2,2-trifluoroethoxycycloheptane?
The InChIKey is PAGMRXYSIVBYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c10-9(11,12)7-13-8-5-3-1-2-4-6-8/h8H,1-7H2.
What are the key properties of 2,2,2-trifluoroethoxycycloheptane?
2,2,2-trifluoroethoxycycloheptane has a molecular weight of 196.21 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethoxycycloheptane is sourced from PubChem (CID 148866146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).