1,1-difluoro-4-methoxycyclooctane

C9H16F2O — CID 129088845

IUPAC1,1-difluoro-4-methoxycyclooctane
SMILESCOC1CCCCC(F)(F)CC1
InChIInChI=1S/C9H16F2O/c1-12-8-4-2-3-6-9(10,11)7-5-8/h8H,2-7H2,1H3
InChIKeyUGPIHSAMLFCCCH-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.99
Rot. Bonds1

About 1,1-difluoro-4-methoxycyclooctane

1,1-difluoro-4-methoxycyclooctane (PubChem CID 129088845) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxycyclooctane.

Molecular Properties

Compound Name1,1-difluoro-4-methoxycyclooctane
PubChem CID129088845
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1,1-difluoro-4-methoxycyclooctane
SMILESCOC1CCCCC(F)(F)CC1
InChIInChI=1S/C9H16F2O/c1-12-8-4-2-3-6-9(10,11)7-5-8/h8H,2-7H2,1H3
InChIKeyUGPIHSAMLFCCCH-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxycyclooctane?
The IUPAC name of 1,1-difluoro-4-methoxycyclooctane (CID 129088845) is 1,1-difluoro-4-methoxycyclooctane.
What is the SMILES notation for 1,1-difluoro-4-methoxycyclooctane?
The canonical SMILES for 1,1-difluoro-4-methoxycyclooctane is COC1CCCCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-methoxycyclooctane?
The InChIKey is UGPIHSAMLFCCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-12-8-4-2-3-6-9(10,11)7-5-8/h8H,2-7H2,1H3.
What are the key properties of 1,1-difluoro-4-methoxycyclooctane?
1,1-difluoro-4-methoxycyclooctane has a molecular weight of 178.22 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxycyclooctane is sourced from PubChem (CID 129088845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).