(2-methoxy-2-propan-2-ylpentyl) hypofluorite

C9H19FO2 — CID 156694278

IUPAC(2-methoxy-2-propan-2-ylpentyl) hypofluorite
SMILESCCCC(COF)(OC)C(C)C
InChIInChI=1S/C9H19FO2/c1-5-6-9(11-4,7-12-10)8(2)3/h8H,5-7H2,1-4H3
InChIKeyXRWXMDNKBCDOCB-UHFFFAOYSA-N
MW178.25 g/mol
LogP2.73
Rot. Bonds6

About (2-methoxy-2-propan-2-ylpentyl) hypofluorite

(2-methoxy-2-propan-2-ylpentyl) hypofluorite (PubChem CID 156694278) has the molecular formula C9H19FO2 and a molecular weight of 178.25 g/mol. Its IUPAC name is (2-methoxy-2-propan-2-ylpentyl) hypofluorite.

Molecular Properties

Compound Name(2-methoxy-2-propan-2-ylpentyl) hypofluorite
PubChem CID156694278
Molecular FormulaC9H19FO2
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name(2-methoxy-2-propan-2-ylpentyl) hypofluorite
SMILESCCCC(COF)(OC)C(C)C
InChIInChI=1S/C9H19FO2/c1-5-6-9(11-4,7-12-10)8(2)3/h8H,5-7H2,1-4H3
InChIKeyXRWXMDNKBCDOCB-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-methoxy-2-propan-2-ylpentyl) 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-methoxy-2-propan-2-ylpentyl) hypofluorite?
The IUPAC name of (2-methoxy-2-propan-2-ylpentyl) hypofluorite (CID 156694278) is (2-methoxy-2-propan-2-ylpentyl) hypofluorite.
What is the SMILES notation for (2-methoxy-2-propan-2-ylpentyl) hypofluorite?
The canonical SMILES for (2-methoxy-2-propan-2-ylpentyl) hypofluorite is CCCC(COF)(OC)C(C)C.
What is the InChIKey of (2-methoxy-2-propan-2-ylpentyl) hypofluorite?
The InChIKey is XRWXMDNKBCDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FO2/c1-5-6-9(11-4,7-12-10)8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of (2-methoxy-2-propan-2-ylpentyl) hypofluorite?
(2-methoxy-2-propan-2-ylpentyl) hypofluorite has a molecular weight of 178.25 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-propan-2-ylpentyl) hypofluorite is sourced from PubChem (CID 156694278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).