2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite

C16H31FO3 — CID 129103561

IUPAC2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite
SMILESCCC(C)(CC)OC1CCC(O)C(C)C(CCOF)C1
InChIInChI=1S/C16H31FO3/c1-5-16(4,6-2)20-14-7-8-15(18)12(3)13(11-14)9-10-19-17/h12-15,18H,5-11H2,1-4H3
InChIKeyDSECHJVNQYGJNP-UHFFFAOYSA-N
MW290.42 g/mol
LogP4.04
Rot. Bonds7

About 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite

2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite (PubChem CID 129103561) has the molecular formula C16H31FO3 and a molecular weight of 290.42 g/mol. Its IUPAC name is 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite.

Molecular Properties

Compound Name2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite
PubChem CID129103561
Molecular FormulaC16H31FO3
Molecular Weight290.42 g/mol
Exact Mass290.23
IUPAC Name2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite
SMILESCCC(C)(CC)OC1CCC(O)C(C)C(CCOF)C1
InChIInChI=1S/C16H31FO3/c1-5-16(4,6-2)20-14-7-8-15(18)12(3)13(11-14)9-10-19-17/h12-15,18H,5-11H2,1-4H3
InChIKeyDSECHJVNQYGJNP-UHFFFAOYSA-N
XLogP4.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite?
The IUPAC name of 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite (CID 129103561) is 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite.
What is the SMILES notation for 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite?
The canonical SMILES for 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite is CCC(C)(CC)OC1CCC(O)C(C)C(CCOF)C1.
What is the InChIKey of 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite?
The InChIKey is DSECHJVNQYGJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FO3/c1-5-16(4,6-2)20-14-7-8-15(18)12(3)13(11-14)9-10-19-17/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite?
2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite has a molecular weight of 290.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2-methyl-6-(3-methylpentan-3-yloxy)cycloheptyl]ethyl hypofluorite is sourced from PubChem (CID 129103561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).