(6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol

C7H14FNO2 — CID 122548054

IUPAC(6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol
SMILESCN1CCOC[C@@H](O)[C@H](F)C1
InChIInChI=1S/C7H14FNO2/c1-9-2-3-11-5-7(10)6(8)4-9/h6-7,10H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyDTSBCTHRZJFIRL-RNFRBKRXSA-N
MW163.19 g/mol
LogP-0.35
Rot. Bonds

About (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol

(6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol (PubChem CID 122548054) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol.

Molecular Properties

Compound Name(6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol
PubChem CID122548054
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol
SMILESCN1CCOC[C@@H](O)[C@H](F)C1
InChIInChI=1S/C7H14FNO2/c1-9-2-3-11-5-7(10)6(8)4-9/h6-7,10H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyDTSBCTHRZJFIRL-RNFRBKRXSA-N
XLogP-0.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-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 (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol?
The IUPAC name of (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol (CID 122548054) is (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol.
What is the SMILES notation for (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol?
The canonical SMILES for (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol is CN1CCOC[C@@H](O)[C@H](F)C1.
What is the InChIKey of (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol?
The InChIKey is DTSBCTHRZJFIRL-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-9-2-3-11-5-7(10)6(8)4-9/h6-7,10H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol?
(6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol has a molecular weight of 163.19 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6-fluoro-4-methyl-1,4-oxazocan-7-ol is sourced from PubChem (CID 122548054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).