4-(1,1-difluoroethyl)-4-ethyloxane

C9H16F2O — CID 174327245

IUPAC4-(1,1-difluoroethyl)-4-ethyloxane
SMILESCCC1(C(C)(F)F)CCOCC1
InChIInChI=1S/C9H16F2O/c1-3-9(8(2,10)11)4-6-12-7-5-9/h3-7H2,1-2H3
InChIKeyNAIGYQSGRZLXFI-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.85
Rot. Bonds2

About 4-(1,1-difluoroethyl)-4-ethyloxane

4-(1,1-difluoroethyl)-4-ethyloxane (PubChem CID 174327245) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-4-ethyloxane.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-4-ethyloxane
PubChem CID174327245
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name4-(1,1-difluoroethyl)-4-ethyloxane
SMILESCCC1(C(C)(F)F)CCOCC1
InChIInChI=1S/C9H16F2O/c1-3-9(8(2,10)11)4-6-12-7-5-9/h3-7H2,1-2H3
InChIKeyNAIGYQSGRZLXFI-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-4-ethyloxane?
The IUPAC name of 4-(1,1-difluoroethyl)-4-ethyloxane (CID 174327245) is 4-(1,1-difluoroethyl)-4-ethyloxane.
What is the SMILES notation for 4-(1,1-difluoroethyl)-4-ethyloxane?
The canonical SMILES for 4-(1,1-difluoroethyl)-4-ethyloxane is CCC1(C(C)(F)F)CCOCC1.
What is the InChIKey of 4-(1,1-difluoroethyl)-4-ethyloxane?
The InChIKey is NAIGYQSGRZLXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-3-9(8(2,10)11)4-6-12-7-5-9/h3-7H2,1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-4-ethyloxane?
4-(1,1-difluoroethyl)-4-ethyloxane has a molecular weight of 178.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-4-ethyloxane is sourced from PubChem (CID 174327245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).