(2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole

C13H24FN — CID 129093491

IUPAC(2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1C=CN(CCF)[C@@]1(C)C(C)C
InChIInChI=1S/C13H24FN/c1-10(2)12-6-8-15(9-7-14)13(12,5)11(3)4/h6,8,10-12H,7,9H2,1-5H3/t12?,13-/m0/s1
InChIKeyQYROFZNDXRDFGX-ABLWVSNPSA-N
MW213.34 g/mol
LogP3.47
Rot. Bonds4

About (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole

(2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole (PubChem CID 129093491) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name(2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole
PubChem CID129093491
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name(2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole
SMILESCC(C)C1C=CN(CCF)[C@@]1(C)C(C)C
InChIInChI=1S/C13H24FN/c1-10(2)12-6-8-15(9-7-14)13(12,5)11(3)4/h6,8,10-12H,7,9H2,1-5H3/t12?,13-/m0/s1
InChIKeyQYROFZNDXRDFGX-ABLWVSNPSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole?
The IUPAC name of (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole (CID 129093491) is (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole.
What is the SMILES notation for (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole?
The canonical SMILES for (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole is CC(C)C1C=CN(CCF)[C@@]1(C)C(C)C.
What is the InChIKey of (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole?
The InChIKey is QYROFZNDXRDFGX-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H24FN/c1-10(2)12-6-8-15(9-7-14)13(12,5)11(3)4/h6,8,10-12H,7,9H2,1-5H3/t12?,13-/m0/s1.
What are the key properties of (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole?
(2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole has a molecular weight of 213.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluoroethyl)-2-methyl-2,3-di(propan-2-yl)-3H-pyrrole is sourced from PubChem (CID 129093491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).