fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine

C9H17F5N2 — CID 142188801

IUPACfluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
SMILESCF.CN1CCC(C(N)C(F)C(F)(F)F)C1
InChIInChI=1S/C8H14F4N2.CH3F/c1-14-3-2-5(4-14)6(13)7(9)8(10,11)12;1-2/h5-7H,2-4,13H2,1H3;1H3
InChIKeyGNURILSWAAJNBS-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.75
Rot. Bonds2

About fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine

fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine (PubChem CID 142188801) has the molecular formula C9H17F5N2 and a molecular weight of 248.24 g/mol. Its IUPAC name is fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Namefluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
PubChem CID142188801
Molecular FormulaC9H17F5N2
Molecular Weight248.24 g/mol
Exact Mass248.13
IUPAC Namefluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
SMILESCF.CN1CCC(C(N)C(F)C(F)(F)F)C1
InChIInChI=1S/C8H14F4N2.CH3F/c1-14-3-2-5(4-14)6(13)7(9)8(10,11)12;1-2/h5-7H,2-4,13H2,1H3;1H3
InChIKeyGNURILSWAAJNBS-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The IUPAC name of fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine (CID 142188801) is fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine is CF.CN1CCC(C(N)C(F)C(F)(F)F)C1.
What is the InChIKey of fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The InChIKey is GNURILSWAAJNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2.CH3F/c1-14-3-2-5(4-14)6(13)7(9)8(10,11)12;1-2/h5-7H,2-4,13H2,1H3;1H3.
What are the key properties of fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine has a molecular weight of 248.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;2,3,3,3-tetrafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 142188801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).