1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole

C12H22FN — CID 140638390

IUPAC1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole
SMILESCC(C)C1C=CN(CCF)C1C(C)C
InChIInChI=1S/C12H22FN/c1-9(2)11-5-7-14(8-6-13)12(11)10(3)4/h5,7,9-12H,6,8H2,1-4H3
InChIKeyKUIRDVFQTKUZRL-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole

1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole (PubChem CID 140638390) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole
PubChem CID140638390
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole
SMILESCC(C)C1C=CN(CCF)C1C(C)C
InChIInChI=1S/C12H22FN/c1-9(2)11-5-7-14(8-6-13)12(11)10(3)4/h5,7,9-12H,6,8H2,1-4H3
InChIKeyKUIRDVFQTKUZRL-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole?
The IUPAC name of 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole (CID 140638390) is 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole is CC(C)C1C=CN(CCF)C1C(C)C.
What is the InChIKey of 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole?
The InChIKey is KUIRDVFQTKUZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-9(2)11-5-7-14(8-6-13)12(11)10(3)4/h5,7,9-12H,6,8H2,1-4H3.
What are the key properties of 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole?
1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole has a molecular weight of 199.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2,3-di(propan-2-yl)-2,3-dihydropyrrole is sourced from PubChem (CID 140638390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).