5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid

C10H16F3NO2 — CID 82534866

IUPAC5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid
SMILESO=C(O)CC(CCN1CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8(7-9(15)16)3-6-14-4-1-2-5-14/h8H,1-7H2,(H,15,16)
InChIKeyZZUOYPDIEMHPTK-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.13
Rot. Bonds5

About 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid

5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid (PubChem CID 82534866) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid
PubChem CID82534866
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid
SMILESO=C(O)CC(CCN1CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8(7-9(15)16)3-6-14-4-1-2-5-14/h8H,1-7H2,(H,15,16)
InChIKeyZZUOYPDIEMHPTK-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid?
The IUPAC name of 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid (CID 82534866) is 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid is O=C(O)CC(CCN1CCCC1)C(F)(F)F.
What is the InChIKey of 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid?
The InChIKey is ZZUOYPDIEMHPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)8(7-9(15)16)3-6-14-4-1-2-5-14/h8H,1-7H2,(H,15,16).
What are the key properties of 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid?
5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid has a molecular weight of 239.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-3-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 82534866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).