(4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol

C8H11FO — CID 89362308

IUPAC(4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C(F)=C[C@H]1C
InChIInChI=1S/C8H11FO/c1-5-3-7(9)8(10)4-6(5)2/h3-6,10H,1-2H3/t5-,6?/m1/s1
InChIKeyIMTJIBANIOHVTL-LWOQYNTDSA-N
MW142.17 g/mol
LogP2.57
Rot. Bonds

About (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol

(4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol (PubChem CID 89362308) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol
PubChem CID89362308
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C(F)=C[C@H]1C
InChIInChI=1S/C8H11FO/c1-5-3-7(9)8(10)4-6(5)2/h3-6,10H,1-2H3/t5-,6?/m1/s1
InChIKeyIMTJIBANIOHVTL-LWOQYNTDSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol?
The IUPAC name of (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol (CID 89362308) is (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol is CC1C=C(O)C(F)=C[C@H]1C.
What is the InChIKey of (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol?
The InChIKey is IMTJIBANIOHVTL-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H11FO/c1-5-3-7(9)8(10)4-6(5)2/h3-6,10H,1-2H3/t5-,6?/m1/s1.
What are the key properties of (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol?
(4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-3,4-dimethylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89362308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).