1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane

C15H28F2O2 — CID 70791123

IUPAC1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane
SMILESCC(C)OC1CCCC1OCCCC(F)(F)C(C)C
InChIInChI=1S/C15H28F2O2/c1-11(2)15(16,17)9-6-10-18-13-7-5-8-14(13)19-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyLESYSDJIGNUAQA-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.42
Rot. Bonds8

About 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane

1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane (PubChem CID 70791123) has the molecular formula C15H28F2O2 and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane.

Molecular Properties

Compound Name1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane
PubChem CID70791123
Molecular FormulaC15H28F2O2
Molecular Weight278.38 g/mol
Exact Mass278.21
IUPAC Name1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane
SMILESCC(C)OC1CCCC1OCCCC(F)(F)C(C)C
InChIInChI=1S/C15H28F2O2/c1-11(2)15(16,17)9-6-10-18-13-7-5-8-14(13)19-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyLESYSDJIGNUAQA-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.42
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-propan-2-yloxycyclopentane?
The IUPAC name of 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane (CID 70791123) is 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane.
What is the SMILES notation for 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane?
The canonical SMILES for 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane is CC(C)OC1CCCC1OCCCC(F)(F)C(C)C.
What is the InChIKey of 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane?
The InChIKey is LESYSDJIGNUAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2O2/c1-11(2)15(16,17)9-6-10-18-13-7-5-8-14(13)19-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane?
1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclopentane has a molecular weight of 278.38 g/mol, XLogP of 4.42, 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-propan-2-yloxycyclopentane is sourced from PubChem (CID 70791123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).