5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene

C13H15F — CID 91339159

IUPAC5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene
SMILESC=C(C)C1=C(F)C=C(C)CC=C=C1C
InChIInChI=1S/C13H15F/c1-9(2)13-11(4)7-5-6-10(3)8-12(13)14/h5,8H,1,6H2,2-4H3
InChIKeyTUBGRMGJECEKGT-UHFFFAOYSA-N
MW190.26 g/mol
LogP4.24
Rot. Bonds1

About 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene

5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene (PubChem CID 91339159) has the molecular formula C13H15F and a molecular weight of 190.26 g/mol. Its IUPAC name is 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene.

Molecular Properties

Compound Name5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene
PubChem CID91339159
Molecular FormulaC13H15F
Molecular Weight190.26 g/mol
Exact Mass190.12
IUPAC Name5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene
SMILESC=C(C)C1=C(F)C=C(C)CC=C=C1C
InChIInChI=1S/C13H15F/c1-9(2)13-11(4)7-5-6-10(3)8-12(13)14/h5,8H,1,6H2,2-4H3
InChIKeyTUBGRMGJECEKGT-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Mentha-1,4,8-triene
CID 527141
3-Ethyl-2-methyl-1,3-hexadiene
CID 5365710
(E)-1,3-Heptadiene, 4-methyl-
CID 5368944
1,3-Dimethyldihydrobenzene
CID 138296
Npc28933
CID 5368777
Neryl fluoride
CID 129824195
3-Ethyl-2-methyl-1,3-hexadien
CID 43553
4-Methyl-1,3-heptadiene, cis
CID 12586158
3-Methylcyclooctadiene
CID 15577590
Geranyl fluoride
CID 11298104
e,e-Farnesyl fluoride
CID 16720898
7-Fluoro-2,6,10-trimethyldodeca-2,6,10-triene
CID 91063959

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene?
The IUPAC name of 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene (CID 91339159) is 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene.
What is the SMILES notation for 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene?
The canonical SMILES for 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene is C=C(C)C1=C(F)C=C(C)CC=C=C1C.
What is the InChIKey of 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene?
The InChIKey is TUBGRMGJECEKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F/c1-9(2)13-11(4)7-5-6-10(3)8-12(13)14/h5,8H,1,6H2,2-4H3.
What are the key properties of 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene?
5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene has a molecular weight of 190.26 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,7-dimethyl-4-prop-1-en-2-ylcycloocta-1,2,4,6-tetraene is sourced from PubChem (CID 91339159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).