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

C14H26F2O2 — CID 70791124

IUPAC1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane
SMILESCC(C)OC1CCC1OCCCC(F)(F)C(C)C
InChIInChI=1S/C14H26F2O2/c1-10(2)14(15,16)8-5-9-17-12-6-7-13(12)18-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyFJQSCPLRVJRHQK-UHFFFAOYSA-N
MW264.36 g/mol
LogP4.03
Rot. Bonds8

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

1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane (PubChem CID 70791124) 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-propan-2-yloxycyclobutane.

Molecular Properties

Compound Name1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane
PubChem CID70791124
Molecular FormulaC14H26F2O2
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane
SMILESCC(C)OC1CCC1OCCCC(F)(F)C(C)C
InChIInChI=1S/C14H26F2O2/c1-10(2)14(15,16)8-5-9-17-12-6-7-13(12)18-11(3)4/h10-13H,5-9H2,1-4H3
InChIKeyFJQSCPLRVJRHQK-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-propan-2-yloxycyclobutane?
The IUPAC name of 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane (CID 70791124) is 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane.
What is the SMILES notation for 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane?
The canonical SMILES for 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane is CC(C)OC1CCC1OCCCC(F)(F)C(C)C.
What is the InChIKey of 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane?
The InChIKey is FJQSCPLRVJRHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O2/c1-10(2)14(15,16)8-5-9-17-12-6-7-13(12)18-11(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane?
1-(4,4-difluoro-5-methylhexoxy)-2-propan-2-yloxycyclobutane 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-propan-2-yloxycyclobutane is sourced from PubChem (CID 70791124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).