1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane

C14H26F2O2 — CID 70794075

IUPAC1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane
SMILESCCOC1CCCC1OCCCC(F)(F)C(C)C
InChIInChI=1S/C14H26F2O2/c1-4-17-12-7-5-8-13(12)18-10-6-9-14(15,16)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyNVCRJGVFSBTWKU-UHFFFAOYSA-N
MW264.36 g/mol
LogP4.03
Rot. Bonds8

About 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane

1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane (PubChem CID 70794075) has the molecular formula C14H26F2O2 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane.

Molecular Properties

Compound Name1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane
PubChem CID70794075
Molecular FormulaC14H26F2O2
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane
SMILESCCOC1CCCC1OCCCC(F)(F)C(C)C
InChIInChI=1S/C14H26F2O2/c1-4-17-12-7-5-8-13(12)18-10-6-9-14(15,16)11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyNVCRJGVFSBTWKU-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane?
The IUPAC name of 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane (CID 70794075) is 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane.
What is the SMILES notation for 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane?
The canonical SMILES for 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane is CCOC1CCCC1OCCCC(F)(F)C(C)C.
What is the InChIKey of 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane?
The InChIKey is NVCRJGVFSBTWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O2/c1-4-17-12-7-5-8-13(12)18-10-6-9-14(15,16)11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane?
1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane has a molecular weight of 264.36 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-5-methylhexoxy)-2-ethoxycyclopentane is sourced from PubChem (CID 70794075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).