4-(2,2,2-trifluoroethoxy)azepane

C8H14F3NO — CID 63904435

IUPAC4-(2,2,2-trifluoroethoxy)azepane
SMILESFC(F)(F)COC1CCCNCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-7-2-1-4-12-5-3-7/h7,12H,1-6H2
InChIKeyUDPHUVHKYDEUKK-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)azepane

4-(2,2,2-trifluoroethoxy)azepane (PubChem CID 63904435) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)azepane.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)azepane
PubChem CID63904435
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-(2,2,2-trifluoroethoxy)azepane
SMILESFC(F)(F)COC1CCCNCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-7-2-1-4-12-5-3-7/h7,12H,1-6H2
InChIKeyUDPHUVHKYDEUKK-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)azepane?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)azepane (CID 63904435) is 4-(2,2,2-trifluoroethoxy)azepane.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)azepane?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)azepane is FC(F)(F)COC1CCCNCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)azepane?
The InChIKey is UDPHUVHKYDEUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-13-7-2-1-4-12-5-3-7/h7,12H,1-6H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)azepane?
4-(2,2,2-trifluoroethoxy)azepane has a molecular weight of 197.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)azepane is sourced from PubChem (CID 63904435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).