2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene

C10H15F — CID 142017090

IUPAC2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene
SMILESCC1=CCCC=C1C(C)(C)F
InChIInChI=1S/C10H15F/c1-8-6-4-5-7-9(8)10(2,3)11/h6-7H,4-5H2,1-3H3
InChIKeyRYLJRKFQRQPIEJ-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.40
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene

2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene (PubChem CID 142017090) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene
PubChem CID142017090
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene
SMILESCC1=CCCC=C1C(C)(C)F
InChIInChI=1S/C10H15F/c1-8-6-4-5-7-9(8)10(2,3)11/h6-7H,4-5H2,1-3H3
InChIKeyRYLJRKFQRQPIEJ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene?
The IUPAC name of 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene (CID 142017090) is 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene is CC1=CCCC=C1C(C)(C)F.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene?
The InChIKey is RYLJRKFQRQPIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-8-6-4-5-7-9(8)10(2,3)11/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene?
2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene has a molecular weight of 154.23 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 142017090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).