(2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine

C11H14FNO — CID 71720630

IUPAC(2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](C[19F])Cc1ccco1
InChIInChI=1S/C11H14FNO/c1-3-6-13(2)10(9-12)8-11-5-4-7-14-11/h1,4-5,7,10H,6,8-9H2,2H3/t10-/m0/s1/i12+0
InChIKeyXBKZEROHOXZUGT-SOLGNKEASA-N
MW195.24 g/mol
LogP1.73
Rot. Bonds5

About (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine

(2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine (PubChem CID 71720630) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine
PubChem CID71720630
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](C[19F])Cc1ccco1
InChIInChI=1S/C11H14FNO/c1-3-6-13(2)10(9-12)8-11-5-4-7-14-11/h1,4-5,7,10H,6,8-9H2,2H3/t10-/m0/s1/i12+0
InChIKeyXBKZEROHOXZUGT-SOLGNKEASA-N
XLogP1.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine?
The IUPAC name of (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine (CID 71720630) is (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine is C#CCN(C)[C@H](C[19F])Cc1ccco1.
What is the InChIKey of (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine?
The InChIKey is XBKZEROHOXZUGT-SOLGNKEASA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-6-13(2)10(9-12)8-11-5-4-7-14-11/h1,4-5,7,10H,6,8-9H2,2H3/t10-/m0/s1/i12+0.
What are the key properties of (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine?
(2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine has a molecular weight of 195.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(19F)fluoro-3-(furan-2-yl)-N-methyl-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 71720630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).