1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

C13H15F — CID 155582400

IUPAC1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCC1=C(C2=CC=C(F)CC2)CCC=C1
InChIInChI=1S/C13H15F/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyFJFWCIVYRSHORT-UHFFFAOYSA-N
MW190.26 g/mol
LogP4.23
Rot. Bonds1

About 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene

1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (PubChem CID 155582400) has the molecular formula C13H15F and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
PubChem CID155582400
Molecular FormulaC13H15F
Molecular Weight190.26 g/mol
Exact Mass190.12
IUPAC Name1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
SMILESCC1=C(C2=CC=C(F)CC2)CCC=C1
InChIInChI=1S/C13H15F/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyFJFWCIVYRSHORT-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclopropan-1-amine
CID 142425720
1-methyl-6-(2-methylcyclohexa-1,3-dien-1-yl)-2H-pyridine
CID 149026209
1,3-dimethyl-4,5-dihydro-2H-indene
CID 158841865
2-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 121446234
N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline
CID 139546752
3,4,5,6,9,10-hexahydrophenanthrene
CID 123501640
ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone
CID 143443539
1,7-difluoro-2-methylcyclohepta-1,3-diene
CID 126490285
1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
CID 178170510
2-(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-2-yl)-9,9-dimethyl-3,4,5,6-tetrahydrofluorene
CID 123554615
CID 91435549
CID 91435549
ethane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-methylcyclohexa-1,3-diene
CID 153354240

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene (CID 155582400) is 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is CC1=C(C2=CC=C(F)CC2)CCC=C1.
What is the InChIKey of 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
The InChIKey is FJFWCIVYRSHORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F/c1-10-4-2-3-5-13(10)11-6-8-12(14)9-7-11/h2,4,6,8H,3,5,7,9H2,1H3.
What are the key properties of 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene?
1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene has a molecular weight of 190.26 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 155582400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).