1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol

C11H17FO — CID 129180601

IUPAC1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol
SMILESCC1=CCC(CC(C)(C)O)C=C1F
InChIInChI=1S/C11H17FO/c1-8-4-5-9(6-10(8)12)7-11(2,3)13/h4,6,9,13H,5,7H2,1-3H3
InChIKeyTWFMYWVMDJYUKX-UHFFFAOYSA-N
MW184.25 g/mol
LogP2.97
Rot. Bonds2

About 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol

1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol (PubChem CID 129180601) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol
PubChem CID129180601
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol
SMILESCC1=CCC(CC(C)(C)O)C=C1F
InChIInChI=1S/C11H17FO/c1-8-4-5-9(6-10(8)12)7-11(2,3)13/h4,6,9,13H,5,7H2,1-3H3
InChIKeyTWFMYWVMDJYUKX-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol (CID 129180601) is 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol is CC1=CCC(CC(C)(C)O)C=C1F.
What is the InChIKey of 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol?
The InChIKey is TWFMYWVMDJYUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-8-4-5-9(6-10(8)12)7-11(2,3)13/h4,6,9,13H,5,7H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol?
1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol has a molecular weight of 184.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 129180601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).