6-fluoro-2,6,7-trimethyloctan-3-ol

C11H23FO — CID 90442290

IUPAC6-fluoro-2,6,7-trimethyloctan-3-ol
SMILESCC(C)C(O)CCC(C)(F)C(C)C
InChIInChI=1S/C11H23FO/c1-8(2)10(13)6-7-11(5,12)9(3)4/h8-10,13H,6-7H2,1-5H3
InChIKeyFVMXCVMGXQECTH-UHFFFAOYSA-N
MW190.30 g/mol
LogP3.17
Rot. Bonds5

About 6-fluoro-2,6,7-trimethyloctan-3-ol

6-fluoro-2,6,7-trimethyloctan-3-ol (PubChem CID 90442290) has the molecular formula C11H23FO and a molecular weight of 190.30 g/mol. Its IUPAC name is 6-fluoro-2,6,7-trimethyloctan-3-ol.

Molecular Properties

Compound Name6-fluoro-2,6,7-trimethyloctan-3-ol
PubChem CID90442290
Molecular FormulaC11H23FO
Molecular Weight190.30 g/mol
Exact Mass190.17
IUPAC Name6-fluoro-2,6,7-trimethyloctan-3-ol
SMILESCC(C)C(O)CCC(C)(F)C(C)C
InChIInChI=1S/C11H23FO/c1-8(2)10(13)6-7-11(5,12)9(3)4/h8-10,13H,6-7H2,1-5H3
InChIKeyFVMXCVMGXQECTH-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6,6-trimethylheptan-3-ol
CID 20577986
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
2,2,3,7,7-pentamethyloctan-4-ol
CID 156689704
2,7,7-trimethylnonan-3-ol
CID 162360269
3,6-difluoro-2,3,6-trimethyloctane
CID 167073987
(3R)-2,5,5-trimethylhexan-3-ol
CID 167343865
2,2,6,7-tetramethyloctane-3,6-diol
CID 114496700
4,7,7-trimethyloctan-3-ol
CID 63562017
2-chloro-2-fluoro-3-methylbutane
CID 88897527
2,5,5-trimethylhexan-1-ol
CID 3020914
3-methylbutane-1,2-diol;propane
CID 87383548

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,6,7-trimethyloctan-3-ol?
The IUPAC name of 6-fluoro-2,6,7-trimethyloctan-3-ol (CID 90442290) is 6-fluoro-2,6,7-trimethyloctan-3-ol.
What is the SMILES notation for 6-fluoro-2,6,7-trimethyloctan-3-ol?
The canonical SMILES for 6-fluoro-2,6,7-trimethyloctan-3-ol is CC(C)C(O)CCC(C)(F)C(C)C.
What is the InChIKey of 6-fluoro-2,6,7-trimethyloctan-3-ol?
The InChIKey is FVMXCVMGXQECTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO/c1-8(2)10(13)6-7-11(5,12)9(3)4/h8-10,13H,6-7H2,1-5H3.
What are the key properties of 6-fluoro-2,6,7-trimethyloctan-3-ol?
6-fluoro-2,6,7-trimethyloctan-3-ol has a molecular weight of 190.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,6,7-trimethyloctan-3-ol is sourced from PubChem (CID 90442290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).