3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene

C10H15F — CID 145369202

IUPAC3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene
SMILESCC1=C(C(C)C)CCC=C1F
InChIInChI=1S/C10H15F/c1-7(2)9-5-4-6-10(11)8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyMBQPVVHGFPAUIE-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.61
Rot. Bonds1

About 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene

3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene (PubChem CID 145369202) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene
PubChem CID145369202
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene
SMILESCC1=C(C(C)C)CCC=C1F
InChIInChI=1S/C10H15F/c1-7(2)9-5-4-6-10(11)8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyMBQPVVHGFPAUIE-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

7-fluoro-8-methyl-1-propan-2-yl-2,3-dihydronaphthalene
CID 169127783
8-ethyl-7-fluoro-1-propan-2-yl-2,3-dihydronaphthalene
CID 171828637
2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 70666053
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086
[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite
CID 146622902
1,3-difluoro-2-[(1S)-1-methoxyethyl]cyclohexa-1,3-diene
CID 163438842
1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene
CID 164990673
2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 144673949
2,6-difluorocyclohexa-1,5-diene-1-thiol;2-methylpropane;prop-1-ene
CID 143945187
1,2-di(propan-2-yl)cyclohexa-1,3-diene
CID 22218399
1-methylcyclobutene;sulfane
CID 90109296
ethane;1-methylcyclobutene
CID 91484029

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene (CID 145369202) is 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene is CC1=C(C(C)C)CCC=C1F.
What is the InChIKey of 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is MBQPVVHGFPAUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-7(2)9-5-4-6-10(11)8(9)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene?
3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 154.23 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 145369202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).