7-fluoro-3,3,7-trimethyloctan-1-ol

C11H23FO — CID 138725917

IUPAC7-fluoro-3,3,7-trimethyloctan-1-ol
SMILESCC(C)(F)CCCC(C)(C)CCO
InChIInChI=1S/C11H23FO/c1-10(2,8-9-13)6-5-7-11(3,4)12/h13H,5-9H2,1-4H3
InChIKeyPTCFEWMKOBVHRD-UHFFFAOYSA-N
MW190.30 g/mol
LogP3.31
Rot. Bonds6

About 7-fluoro-3,3,7-trimethyloctan-1-ol

7-fluoro-3,3,7-trimethyloctan-1-ol (PubChem CID 138725917) has the molecular formula C11H23FO and a molecular weight of 190.30 g/mol. Its IUPAC name is 7-fluoro-3,3,7-trimethyloctan-1-ol.

Molecular Properties

Compound Name7-fluoro-3,3,7-trimethyloctan-1-ol
PubChem CID138725917
Molecular FormulaC11H23FO
Molecular Weight190.30 g/mol
Exact Mass190.17
IUPAC Name7-fluoro-3,3,7-trimethyloctan-1-ol
SMILESCC(C)(F)CCCC(C)(C)CCO
InChIInChI=1S/C11H23FO/c1-10(2,8-9-13)6-5-7-11(3,4)12/h13H,5-9H2,1-4H3
InChIKeyPTCFEWMKOBVHRD-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-amino-3,3-dimethylhexan-1-ol
CID 134232147
3,3-dimethyloctan-1-ol
CID 18704344
10,10,10-trifluoro-5,5-dimethyl-9-(trifluoromethyl)decane-1,9-diol
CID 21261674
7-methoxy-3,3,7-trimethylnonan-1-ol
CID 88874451
1,17-dihydroxy-3,3,15,15-tetramethylheptadecane-7,11-dione
CID 23431441
6-[3-(6-hydroxy-4,4-dimethylhexyl)sulfinylpropylsulfinyl]-3,3-dimethylhexan-1-ol
CID 18752634
3,3,15,15-tetramethylheptadecane-1,9,17-triol
CID 59660187
5-chloro-3,3-dimethylpentan-1-ol
CID 139625644
7-(6-hydroxy-5,5-dimethylhexoxy)-3,3-dimethylheptan-1-ol
CID 59111002
9-hydroxy-4,4,7,7-tetramethylnonanenitrile
CID 166904994
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
3,4,4,4-tetrafluoro-3-methylbutan-1-ol
CID 142168875

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,3,7-trimethyloctan-1-ol?
The IUPAC name of 7-fluoro-3,3,7-trimethyloctan-1-ol (CID 138725917) is 7-fluoro-3,3,7-trimethyloctan-1-ol.
What is the SMILES notation for 7-fluoro-3,3,7-trimethyloctan-1-ol?
The canonical SMILES for 7-fluoro-3,3,7-trimethyloctan-1-ol is CC(C)(F)CCCC(C)(C)CCO.
What is the InChIKey of 7-fluoro-3,3,7-trimethyloctan-1-ol?
The InChIKey is PTCFEWMKOBVHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO/c1-10(2,8-9-13)6-5-7-11(3,4)12/h13H,5-9H2,1-4H3.
What are the key properties of 7-fluoro-3,3,7-trimethyloctan-1-ol?
7-fluoro-3,3,7-trimethyloctan-1-ol has a molecular weight of 190.30 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,3,7-trimethyloctan-1-ol is sourced from PubChem (CID 138725917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).