6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol

C12H19FO — CID 172585968

IUPAC6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol
SMILESCC(C)C1=C(O)C(F)=C(C(C)C)CC1
InChIInChI=1S/C12H19FO/c1-7(2)9-5-6-10(8(3)4)12(14)11(9)13/h7-8,14H,5-6H2,1-4H3
InChIKeyHSSWKKWOBFJPRB-UHFFFAOYSA-N
MW198.28 g/mol
LogP4.13
Rot. Bonds2

About 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol

6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol (PubChem CID 172585968) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol
PubChem CID172585968
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol
SMILESCC(C)C1=C(O)C(F)=C(C(C)C)CC1
InChIInChI=1S/C12H19FO/c1-7(2)9-5-6-10(8(3)4)12(14)11(9)13/h7-8,14H,5-6H2,1-4H3
InChIKeyHSSWKKWOBFJPRB-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-5-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 13670329
p-Menthadienol
CID 53249447
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylidenedeca-1,3-dien-2-ol
CID 143777055
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
CID 144733838
(4S)-6-fluoro-5-methyl-4-(4-methylcyclohexen-1-yl)cyclohexa-1,5-dien-1-ol
CID 163479826
5-Methyl-2-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 164543686
(4E)-4-(1-fluorobutan-2-ylidene)-3,5-dimethylcyclohexa-1,5-dien-1-ol
CID 167120362
6-Fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 172586012
(3Z)-3,4,11-trifluoro-6,9-dimethyl-5,10-dimethylidenedodeca-1,3,11-trien-2-ol
CID 144156283
(3E)-3-fluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
CID 145235005
2-Butyl-4-butylidene-3-methylcyclohexa-1,5-dien-1-ol
CID 67251526
2,3-Dimethyl-5-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 89930760

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol (CID 172585968) is 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol is CC(C)C1=C(O)C(F)=C(C(C)C)CC1.
What is the InChIKey of 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol?
The InChIKey is HSSWKKWOBFJPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c1-7(2)9-5-6-10(8(3)4)12(14)11(9)13/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol?
6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol has a molecular weight of 198.28 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,5-di(propan-2-yl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 172585968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).