2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

C10H19F3N2 — CID 103366406

IUPAC2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC1(C)CCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-9(2)3-4-15(7-9)6-8(5-14)10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyUEJFBTWBXCBLMM-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.86
Rot. Bonds3

About 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366406) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366406
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCC1(C)CCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2/c1-9(2)3-4-15(7-9)6-8(5-14)10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyUEJFBTWBXCBLMM-UHFFFAOYSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366406) is 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is CC1(C)CCN(CC(CN)C(F)(F)F)C1.
What is the InChIKey of 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is UEJFBTWBXCBLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-9(2)3-4-15(7-9)6-8(5-14)10(11,12)13/h8H,3-7,14H2,1-2H3.
What are the key properties of 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 224.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).