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

C9H10F4 — CID 129233419

IUPAC5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene
SMILESCC(C)C1=CC(C(F)(F)F)=CC1F
InChIInChI=1S/C9H10F4/c1-5(2)7-3-6(4-8(7)10)9(11,12)13/h3-5,8H,1-2H3
InChIKeyFJIXNALNTYIADW-UHFFFAOYSA-N
MW194.17 g/mol
LogP3.41
Rot. Bonds1

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

5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 129233419) has the molecular formula C9H10F4 and a molecular weight of 194.17 g/mol. Its IUPAC name is 5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID129233419
Molecular FormulaC9H10F4
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene
SMILESCC(C)C1=CC(C(F)(F)F)=CC1F
InChIInChI=1S/C9H10F4/c1-5(2)7-3-6(4-8(7)10)9(11,12)13/h3-5,8H,1-2H3
InChIKeyFJIXNALNTYIADW-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene (CID 129233419) is 5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene is CC(C)C1=CC(C(F)(F)F)=CC1F.
What is the InChIKey of 5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is FJIXNALNTYIADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4/c1-5(2)7-3-6(4-8(7)10)9(11,12)13/h3-5,8H,1-2H3.
What are the key properties of 5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene?
5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 194.17 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propan-2-yl-3-(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 129233419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).