1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene

C10H15F — CID 145449186

IUPAC1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene
SMILESCC(C)CC1=C(F)CCC=C1
InChIInChI=1S/C10H15F/c1-8(2)7-9-5-3-4-6-10(9)11/h3,5,8H,4,6-7H2,1-2H3
InChIKeyHWILUPFSULUTKZ-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.61
Rot. Bonds2

About 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene

1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene (PubChem CID 145449186) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene
PubChem CID145449186
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene
SMILESCC(C)CC1=C(F)CCC=C1
InChIInChI=1S/C10H15F/c1-8(2)7-9-5-3-4-6-10(9)11/h3,5,8H,4,6-7H2,1-2H3
InChIKeyHWILUPFSULUTKZ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
1-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 130368204
N-[1-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]ethanimine
CID 142913457
3-methyl-N-[[2-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methyl]butanamide
CID 70853346
2-fluoro-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
CID 167447240
7-(2-methylpropyl)-1,2-dihydronaphthalene
CID 162529552
2-butan-2-yl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 143473757
6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine
CID 144929403
(3S,6R)-1-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
CID 157039953
1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
CID 178170510
6-(2-methylpropyl)-1,2-dihydroanthracene
CID 141269384
2-[2-[(2-fluorocyclohexa-1,5-dien-1-yl)methoxy]phenyl]phenol
CID 143956200

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene (CID 145449186) is 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene is CC(C)CC1=C(F)CCC=C1.
What is the InChIKey of 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene?
The InChIKey is HWILUPFSULUTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-8(2)7-9-5-3-4-6-10(9)11/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene?
1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene has a molecular weight of 154.23 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene is sourced from PubChem (CID 145449186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).