1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine

C10H15F4N — CID 163550256

IUPAC1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine
SMILESC=C(F)C(CC)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C10H15F4N/c1-3-9(8(2)11,10(12,13)14)15-6-4-5-7-15/h2-7H2,1H3
InChIKeyFILWFTLROBUBSV-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.28
Rot. Bonds3

About 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine

1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine (PubChem CID 163550256) has the molecular formula C10H15F4N and a molecular weight of 225.23 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine
PubChem CID163550256
Molecular FormulaC10H15F4N
Molecular Weight225.23 g/mol
Exact Mass225.11
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine
SMILESC=C(F)C(CC)(N1CCCC1)C(F)(F)F
InChIInChI=1S/C10H15F4N/c1-3-9(8(2)11,10(12,13)14)15-6-4-5-7-15/h2-7H2,1H3
InChIKeyFILWFTLROBUBSV-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine (CID 163550256) is 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine is C=C(F)C(CC)(N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine?
The InChIKey is FILWFTLROBUBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4N/c1-3-9(8(2)11,10(12,13)14)15-6-4-5-7-15/h2-7H2,1H3.
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine?
1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine has a molecular weight of 225.23 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(trifluoromethyl)pent-1-en-3-yl]pyrrolidine is sourced from PubChem (CID 163550256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).