methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine

C9H19F3N2 — CID 157275326

IUPACmethane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
SMILESC.CN(CCC(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C8H15F3N2.CH4/c1-13(5-3-8(9,10)11)7-2-4-12-6-7;/h7,12H,2-6H2,1H3;1H4/t7-;/m0./s1
InChIKeyAZALDRRNLIGGRX-FJXQXJEOSA-N
MW212.26 g/mol
LogP1.87
Rot. Bonds3

About methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine

methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine (PubChem CID 157275326) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Namemethane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
PubChem CID157275326
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC Namemethane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
SMILESC.CN(CCC(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C8H15F3N2.CH4/c1-13(5-3-8(9,10)11)7-2-4-12-6-7;/h7,12H,2-6H2,1H3;1H4/t7-;/m0./s1
InChIKeyAZALDRRNLIGGRX-FJXQXJEOSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The IUPAC name of methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine (CID 157275326) is methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine.
What is the SMILES notation for methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The canonical SMILES for methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine is C.CN(CCC(F)(F)F)[C@H]1CCNC1.
What is the InChIKey of methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
The InChIKey is AZALDRRNLIGGRX-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H15F3N2.CH4/c1-13(5-3-8(9,10)11)7-2-4-12-6-7;/h7,12H,2-6H2,1H3;1H4/t7-;/m0./s1.
What are the key properties of methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine?
methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine has a molecular weight of 212.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3S)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine is sourced from PubChem (CID 157275326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).