3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole

C10H18FN — CID 123599714

IUPAC3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole
SMILESCC(C)C1=CN(C)CC1C(C)F
InChIInChI=1S/C10H18FN/c1-7(2)9-5-12(4)6-10(9)8(3)11/h5,7-8,10H,6H2,1-4H3
InChIKeyKZKVFYGLUPCFOK-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.45
Rot. Bonds2

About 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole

3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole (PubChem CID 123599714) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole
PubChem CID123599714
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole
SMILESCC(C)C1=CN(C)CC1C(C)F
InChIInChI=1S/C10H18FN/c1-7(2)9-5-12(4)6-10(9)8(3)11/h5,7-8,10H,6H2,1-4H3
InChIKeyKZKVFYGLUPCFOK-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole (CID 123599714) is 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole is CC(C)C1=CN(C)CC1C(C)F.
What is the InChIKey of 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is KZKVFYGLUPCFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-7(2)9-5-12(4)6-10(9)8(3)11/h5,7-8,10H,6H2,1-4H3.
What are the key properties of 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole?
3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 171.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 123599714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).