6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene

C12H19FO — CID 90958830

IUPAC6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=CC(F)C(C(C)C)C=C1
InChIInChI=1S/C12H19FO/c1-8(2)11-6-5-10(7-12(11)13)14-9(3)4/h5-9,11-12H,1-4H3
InChIKeyBTXDRQZIUKMECJ-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.48
Rot. Bonds3

About 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene

6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 90958830) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene
PubChem CID90958830
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1=CC(F)C(C(C)C)C=C1
InChIInChI=1S/C12H19FO/c1-8(2)11-6-5-10(7-12(11)13)14-9(3)4/h5-9,11-12H,1-4H3
InChIKeyBTXDRQZIUKMECJ-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-2-methoxy-5-(2-methylpropyl)cyclohexa-1,3-diene
CID 59432808
1-Fluoro-3-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 67557004
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070560
2-(2-Fluoroethoxy)-5-methylcyclohexa-1,3-diene
CID 88574758
(2E,4Z)-3-[(2R)-2-fluoro-2-methylbutoxy]-6,7-dimethylocta-2,4-diene
CID 88998018
6-ethenyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247339
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 89247420
6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran
CID 89247482
(2Z,4E,6E)-5-(1-fluoro-2-methylpropoxy)-9-methyldeca-2,4,6-triene
CID 89312914
(5R)-5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene
CID 89664253

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene (CID 90958830) is 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene is CC(C)OC1=CC(F)C(C(C)C)C=C1.
What is the InChIKey of 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is BTXDRQZIUKMECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c1-8(2)11-6-5-10(7-12(11)13)14-9(3)4/h5-9,11-12H,1-4H3.
What are the key properties of 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene?
6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 198.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 90958830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).