8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol

C12H23FO — CID 123929743

IUPAC8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol
SMILESCCCC(O)C(CC=CF)CC(C)C
InChIInChI=1S/C12H23FO/c1-4-6-12(14)11(7-5-8-13)9-10(2)3/h5,8,10-12,14H,4,6-7,9H2,1-3H3
InChIKeyRUBBUBPPJIQXMP-UHFFFAOYSA-N
MW202.31 g/mol
LogP3.68
Rot. Bonds7

About 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol

8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol (PubChem CID 123929743) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol.

Molecular Properties

Compound Name8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol
PubChem CID123929743
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol
SMILESCCCC(O)C(CC=CF)CC(C)C
InChIInChI=1S/C12H23FO/c1-4-6-12(14)11(7-5-8-13)9-10(2)3/h5,8,10-12,14H,4,6-7,9H2,1-3H3
InChIKeyRUBBUBPPJIQXMP-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,7-Octadien-3-ol, 2,6-dimethyl-
CID 90789
4-Ethyloct-1-en-3-ol
CID 93920
4-Methyl-6-hepten-3-ol
CID 547700
3-Methyloct-7-en-2-ol
CID 10351801
3-Methylundec-1-en-4-ol
CID 12794264
2-Methylundec-10-en-1-ol
CID 54359742
7-Octen-3-ol, 2,6-dimethyl-
CID 565253
(3S,4R)-3-methyltridec-1-en-4-ol
CID 11031172
(3R,4R)-3-methyltridec-1-en-4-ol
CID 13096085
(3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol
CID 134969182
3-Methylnon-1-en-4-ol
CID 3742826
1-Cyclohexyl-2-methylbut-3-en-1-ol
CID 11275241

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol?
The IUPAC name of 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol (CID 123929743) is 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol.
What is the SMILES notation for 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol?
The canonical SMILES for 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol is CCCC(O)C(CC=CF)CC(C)C.
What is the InChIKey of 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol?
The InChIKey is RUBBUBPPJIQXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO/c1-4-6-12(14)11(7-5-8-13)9-10(2)3/h5,8,10-12,14H,4,6-7,9H2,1-3H3.
What are the key properties of 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol?
8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol has a molecular weight of 202.31 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(2-methylpropyl)oct-7-en-4-ol is sourced from PubChem (CID 123929743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).