1-(4,4-difluorohexoxy)-2-ethoxycyclopentane

C13H24F2O2 — CID 70794073

IUPAC1-(4,4-difluorohexoxy)-2-ethoxycyclopentane
SMILESCCOC1CCCC1OCCCC(F)(F)CC
InChIInChI=1S/C13H24F2O2/c1-3-13(14,15)9-6-10-17-12-8-5-7-11(12)16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyWXTBTHJWRNUJTA-UHFFFAOYSA-N
MW250.33 g/mol
LogP3.79
Rot. Bonds8

About 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane

1-(4,4-difluorohexoxy)-2-ethoxycyclopentane (PubChem CID 70794073) has the molecular formula C13H24F2O2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane.

Molecular Properties

Compound Name1-(4,4-difluorohexoxy)-2-ethoxycyclopentane
PubChem CID70794073
Molecular FormulaC13H24F2O2
Molecular Weight250.33 g/mol
Exact Mass250.17
IUPAC Name1-(4,4-difluorohexoxy)-2-ethoxycyclopentane
SMILESCCOC1CCCC1OCCCC(F)(F)CC
InChIInChI=1S/C13H24F2O2/c1-3-13(14,15)9-6-10-17-12-8-5-7-11(12)16-4-2/h11-12H,3-10H2,1-2H3
InChIKeyWXTBTHJWRNUJTA-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane with MolForge

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

Launch Full Analysis

Related Compounds

1-(4,4-Difluoro-4-iodobutoxy)-2-methoxycyclopentane
CID 70216923
1-(4,4-Difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane
CID 70791123
1-(4,4-Difluoro-5-methylhexoxy)-2-methoxycyclopentane
CID 70794068
1-(4,4-Difluoro-5-methylhexoxy)-2-ethoxycyclopentane
CID 70794075
2-(1-Butan-2-yloxy-2-methoxyethyl)-2,3,3,4,4,5-hexafluorooxolane
CID 88562007
4,4-Difluoro-1-(3-propan-2-yloxybutan-2-yloxy)hexane
CID 88975420
1-(3-Ethoxybutan-2-yloxy)-4,4-difluorohexane
CID 88975437
2-(7,7,7-Trifluoroheptoxymethyl)oxolane
CID 89576525
2-(6,6,6-Trifluorohexoxymethyl)oxolane
CID 89576537
2-(5,5,6,6,6-Pentafluorohexoxymethyl)oxolane
CID 89576572
1-(4,4-Difluoropentoxy)-2-methoxycyclopentane
CID 90892333
(5S)-3,3-difluoro-5-(methoxymethyl)-2-methyloxolane;ethane;methoxymethane
CID 142299424

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane?
The IUPAC name of 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane (CID 70794073) is 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane.
What is the SMILES notation for 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane?
The canonical SMILES for 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane is CCOC1CCCC1OCCCC(F)(F)CC.
What is the InChIKey of 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane?
The InChIKey is WXTBTHJWRNUJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O2/c1-3-13(14,15)9-6-10-17-12-8-5-7-11(12)16-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane?
1-(4,4-difluorohexoxy)-2-ethoxycyclopentane has a molecular weight of 250.33 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorohexoxy)-2-ethoxycyclopentane is sourced from PubChem (CID 70794073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).