4-(1,1-difluoropropoxy)octane

C11H22F2O — CID 20614894

IUPAC4-(1,1-difluoropropoxy)octane
SMILESCCCCC(CCC)OC(F)(F)CC
InChIInChI=1S/C11H22F2O/c1-4-7-9-10(8-5-2)14-11(12,13)6-3/h10H,4-9H2,1-3H3
InChIKeyMVLAQEDSNWYBIT-UHFFFAOYSA-N
MW208.29 g/mol
LogP4.36
Rot. Bonds8

About 4-(1,1-difluoropropoxy)octane

4-(1,1-difluoropropoxy)octane (PubChem CID 20614894) has the molecular formula C11H22F2O and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(1,1-difluoropropoxy)octane.

Molecular Properties

Compound Name4-(1,1-difluoropropoxy)octane
PubChem CID20614894
Molecular FormulaC11H22F2O
Molecular Weight208.29 g/mol
Exact Mass208.16
IUPAC Name4-(1,1-difluoropropoxy)octane
SMILESCCCCC(CCC)OC(F)(F)CC
InChIInChI=1S/C11H22F2O/c1-4-7-9-10(8-5-2)14-11(12,13)6-3/h10H,4-9H2,1-3H3
InChIKeyMVLAQEDSNWYBIT-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(1,1-difluoropropoxy)octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropoxy)octane?
The IUPAC name of 4-(1,1-difluoropropoxy)octane (CID 20614894) is 4-(1,1-difluoropropoxy)octane.
What is the SMILES notation for 4-(1,1-difluoropropoxy)octane?
The canonical SMILES for 4-(1,1-difluoropropoxy)octane is CCCCC(CCC)OC(F)(F)CC.
What is the InChIKey of 4-(1,1-difluoropropoxy)octane?
The InChIKey is MVLAQEDSNWYBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O/c1-4-7-9-10(8-5-2)14-11(12,13)6-3/h10H,4-9H2,1-3H3.
What are the key properties of 4-(1,1-difluoropropoxy)octane?
4-(1,1-difluoropropoxy)octane has a molecular weight of 208.29 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropoxy)octane is sourced from PubChem (CID 20614894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).