1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene

C10H13F3 — CID 23450515

IUPAC1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene
SMILESCCCCC1=CC(C(F)(F)F)=CC1
InChIInChI=1S/C10H13F3/c1-2-3-4-8-5-6-9(7-8)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyBOVDZQVARBPEAG-UHFFFAOYSA-N
MW190.21 g/mol
LogP4.00
Rot. Bonds3

About 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene

1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 23450515) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID23450515
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene
SMILESCCCCC1=CC(C(F)(F)F)=CC1
InChIInChI=1S/C10H13F3/c1-2-3-4-8-5-6-9(7-8)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyBOVDZQVARBPEAG-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butyl-3-(trifluoromethyl)cyclopenta-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

Related Compounds

3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
CID 101202010
CID 163785890
CID 163785890
1-pentylcyclopropene
CID 159067584
1-tridecylcyclopropene
CID 22621692
1-dodecylcyclopropene
CID 22621656
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
[3-butyl-5-(trifluoromethyl)phenyl]methanol
CID 118268639
2-propyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143596428
2-hydroxy-5-propylcyclohexa-2,5-dien-1-one
CID 89266132
6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine
CID 174904968
tetrakis(1,3-dipropylcyclopenta-1,3-diene);zirconium;dichloride
CID 22617565
4-(3-tert-butyl-6-ethylcyclohepta-1,3,6-trien-1-yl)butan-1-amine
CID 134446919

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene (CID 23450515) is 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene is CCCCC1=CC(C(F)(F)F)=CC1.
What is the InChIKey of 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is BOVDZQVARBPEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c1-2-3-4-8-5-6-9(7-8)10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene?
1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 190.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 23450515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).