3-(6,6,6-trifluorohexan-2-yl)pyrrolidine

C10H18F3N — CID 116536150

IUPAC3-(6,6,6-trifluorohexan-2-yl)pyrrolidine
SMILESCC(CCCC(F)(F)F)C1CCNC1
InChIInChI=1S/C10H18F3N/c1-8(9-4-6-14-7-9)3-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyNJABOIXCOYOAIW-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.96
Rot. Bonds4

About 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine

3-(6,6,6-trifluorohexan-2-yl)pyrrolidine (PubChem CID 116536150) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(6,6,6-trifluorohexan-2-yl)pyrrolidine
PubChem CID116536150
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name3-(6,6,6-trifluorohexan-2-yl)pyrrolidine
SMILESCC(CCCC(F)(F)F)C1CCNC1
InChIInChI=1S/C10H18F3N/c1-8(9-4-6-14-7-9)3-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyNJABOIXCOYOAIW-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine?
The IUPAC name of 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine (CID 116536150) is 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine.
What is the SMILES notation for 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine?
The canonical SMILES for 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine is CC(CCCC(F)(F)F)C1CCNC1.
What is the InChIKey of 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine?
The InChIKey is NJABOIXCOYOAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(9-4-6-14-7-9)3-2-5-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine?
3-(6,6,6-trifluorohexan-2-yl)pyrrolidine has a molecular weight of 209.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6,6-trifluorohexan-2-yl)pyrrolidine is sourced from PubChem (CID 116536150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).