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

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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).