1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine

C10H19F3N2 — CID 116535635

IUPAC1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine
SMILESCC(CCCC(F)(F)F)N1CCC(N)C1
InChIInChI=1S/C10H19F3N2/c1-8(3-2-5-10(11,12)13)15-6-4-9(14)7-15/h8-9H,2-7,14H2,1H3
InChIKeyZFPXLAYIKCEOHX-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.14
Rot. Bonds4

About 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine

1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine (PubChem CID 116535635) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine
PubChem CID116535635
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine
SMILESCC(CCCC(F)(F)F)N1CCC(N)C1
InChIInChI=1S/C10H19F3N2/c1-8(3-2-5-10(11,12)13)15-6-4-9(14)7-15/h8-9H,2-7,14H2,1H3
InChIKeyZFPXLAYIKCEOHX-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine (CID 116535635) is 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine is CC(CCCC(F)(F)F)N1CCC(N)C1.
What is the InChIKey of 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine?
The InChIKey is ZFPXLAYIKCEOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8(3-2-5-10(11,12)13)15-6-4-9(14)7-15/h8-9H,2-7,14H2,1H3.
What are the key properties of 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine?
1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine has a molecular weight of 224.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6,6-trifluorohexan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 116535635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).