4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol

C12H19FO — CID 68794150

IUPAC4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCCCC(C)(C)C1(O)C=CC(F)=CC1
InChIInChI=1S/C12H19FO/c1-4-7-11(2,3)12(14)8-5-10(13)6-9-12/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyNRTFNESNGGIFKB-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.36
Rot. Bonds3

About 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol

4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 68794150) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID68794150
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCCCC(C)(C)C1(O)C=CC(F)=CC1
InChIInChI=1S/C12H19FO/c1-4-7-11(2,3)12(14)8-5-10(13)6-9-12/h5-6,8,14H,4,7,9H2,1-3H3
InChIKeyNRTFNESNGGIFKB-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol (CID 68794150) is 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol is CCCC(C)(C)C1(O)C=CC(F)=CC1.
What is the InChIKey of 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is NRTFNESNGGIFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c1-4-7-11(2,3)12(14)8-5-10(13)6-9-12/h5-6,8,14H,4,7,9H2,1-3H3.
What are the key properties of 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol?
4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 198.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68794150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).