7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine

C12H23F3N2 — CID 115517171

IUPAC7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine
SMILESCC(C)(C(N)CCCC(F)(F)F)N1CCCC1
InChIInChI=1S/C12H23F3N2/c1-11(2,17-8-3-4-9-17)10(16)6-5-7-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyUQNFDKQMVKAKBB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.92
Rot. Bonds5

About 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine

7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine (PubChem CID 115517171) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine
PubChem CID115517171
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine
SMILESCC(C)(C(N)CCCC(F)(F)F)N1CCCC1
InChIInChI=1S/C12H23F3N2/c1-11(2,17-8-3-4-9-17)10(16)6-5-7-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyUQNFDKQMVKAKBB-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine?
The IUPAC name of 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine (CID 115517171) is 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine.
What is the SMILES notation for 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine?
The canonical SMILES for 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine is CC(C)(C(N)CCCC(F)(F)F)N1CCCC1.
What is the InChIKey of 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine?
The InChIKey is UQNFDKQMVKAKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-11(2,17-8-3-4-9-17)10(16)6-5-7-12(13,14)15/h10H,3-9,16H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine?
7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine has a molecular weight of 252.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine is sourced from PubChem (CID 115517171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).