2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene

C11H13F3 — CID 143596428

IUPAC2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCCCC1=CCC=CC(C(F)(F)F)=C1
InChIInChI=1S/C11H13F3/c1-2-5-9-6-3-4-7-10(8-9)11(12,13)14/h4,6-8H,2-3,5H2,1H3
InChIKeyIBUAITIZQGKGBD-UHFFFAOYSA-N
MW202.22 g/mol
LogP4.16
Rot. Bonds2

About 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene

2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene (PubChem CID 143596428) has the molecular formula C11H13F3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
PubChem CID143596428
Molecular FormulaC11H13F3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
SMILESCCCC1=CCC=CC(C(F)(F)F)=C1
InChIInChI=1S/C11H13F3/c1-2-5-9-6-3-4-7-10(8-9)11(12,13)14/h4,6-8H,2-3,5H2,1H3
InChIKeyIBUAITIZQGKGBD-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-propylcyclopenta-1,3-diene
CID 142052577
2-heptadecylcyclopenta-1,3-diene
CID 91156945
[2-amino-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]propyl] carbamate
CID 91413440
5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine
CID 134389528
1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene
CID 21221920
1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene
CID 23450515
2-(3-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 87447368
2-(3-ethylhex-5-en-3-yl)cyclopenta-1,3-diene
CID 137052048
1-(cyclopenta-1,4-dien-1-ylmethyl)-2-pentylbenzene
CID 173364149
2-[4,6-bis(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-N-methylethanamine
CID 143596398
1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane
CID 145378812
2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium
CID 175034285

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene (CID 143596428) is 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene is CCCC1=CCC=CC(C(F)(F)F)=C1.
What is the InChIKey of 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
The InChIKey is IBUAITIZQGKGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3/c1-2-5-9-6-3-4-7-10(8-9)11(12,13)14/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene?
2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene has a molecular weight of 202.22 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 143596428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).