1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol

C10H21FO2 — CID 90383714

IUPAC1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol
SMILESCOC(C)(C)CC(C)(C)C(O)CF
InChIInChI=1S/C10H21FO2/c1-9(2,8(12)6-11)7-10(3,4)13-5/h8,12H,6-7H2,1-5H3
InChIKeyNRROTJAAUHYEHK-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.16
Rot. Bonds5

About 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol

1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol (PubChem CID 90383714) has the molecular formula C10H21FO2 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol
PubChem CID90383714
Molecular FormulaC10H21FO2
Molecular Weight192.27 g/mol
Exact Mass192.15
IUPAC Name1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol
SMILESCOC(C)(C)CC(C)(C)C(O)CF
InChIInChI=1S/C10H21FO2/c1-9(2,8(12)6-11)7-10(3,4)13-5/h8,12H,6-7H2,1-5H3
InChIKeyNRROTJAAUHYEHK-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol 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 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol?
The IUPAC name of 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol (CID 90383714) is 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol.
What is the SMILES notation for 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol?
The canonical SMILES for 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol is COC(C)(C)CC(C)(C)C(O)CF.
What is the InChIKey of 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol?
The InChIKey is NRROTJAAUHYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO2/c1-9(2,8(12)6-11)7-10(3,4)13-5/h8,12H,6-7H2,1-5H3.
What are the key properties of 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol?
1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol has a molecular weight of 192.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methoxy-3,3,5-trimethylhexan-2-ol is sourced from PubChem (CID 90383714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).