2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene

C10H13F3 — CID 154520136

IUPAC2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC(C)C1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C10H13F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h3-5,7,9H,6H2,1-2H3
InChIKeyGRJBZIOQEZKUJJ-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.71
Rot. Bonds1

About 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene

2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 154520136) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID154520136
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC(C)C1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C10H13F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h3-5,7,9H,6H2,1-2H3
InChIKeyGRJBZIOQEZKUJJ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5S)-2-(2,4-dimethylpentan-2-yl)-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70946946
4-propan-2-ylcyclohexa-2,4-dien-1-ol
CID 139242852
1-[2,4-dimethyl-4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-yl]pyrrolidine
CID 71218420
2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 90696568
3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]aniline
CID 162548304
2-methyl-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]pyrazine
CID 143563964
N-methyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]methanamine
CID 137439340
2-methyl-1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazole
CID 134600372
3-propan-2-yl-1,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 147309991
2-methyl-5-(trifluoromethyl)cyclohepta-1,3-diene
CID 131983395
N,N-dimethyl-4-propan-2-ylcyclohepta-2,4-dien-1-amine
CID 176964136
3,5-dimethyl-4-propan-2-yl-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)pyrazole
CID 170043562

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene (CID 154520136) is 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene is CC(C)C1=CCC(C(F)(F)F)C=C1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is GRJBZIOQEZKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene?
2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 190.21 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 154520136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).