2,2-dimethylpropane;2-fluoro-3H-pyrrole

C9H16FN — CID 162153992

IUPAC2,2-dimethylpropane;2-fluoro-3H-pyrrole
SMILESCC(C)(C)C.FC1=NC=CC1
InChIInChI=1S/C5H12.C4H4FN/c1-5(2,3)4;5-4-2-1-3-6-4/h1-4H3;1,3H,2H2
InChIKeyZLORVSRJTCSCIJ-UHFFFAOYSA-N
MW157.23 g/mol
LogP3.32
Rot. Bonds

About 2,2-dimethylpropane;2-fluoro-3H-pyrrole

2,2-dimethylpropane;2-fluoro-3H-pyrrole (PubChem CID 162153992) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2,2-dimethylpropane;2-fluoro-3H-pyrrole.

Molecular Properties

Compound Name2,2-dimethylpropane;2-fluoro-3H-pyrrole
PubChem CID162153992
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2,2-dimethylpropane;2-fluoro-3H-pyrrole
SMILESCC(C)(C)C.FC1=NC=CC1
InChIInChI=1S/C5H12.C4H4FN/c1-5(2,3)4;5-4-2-1-3-6-4/h1-4H3;1,3H,2H2
InChIKeyZLORVSRJTCSCIJ-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-3,3-dimethylpyrrole
CID 174913653
N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine
CID 142996705
ethane;3H-pyrrole
CID 54050481
ethane;3H-pyrrole
CID 54102107
2,2-dimethylpropane;ethane;3H-pyrrole
CID 91543785
N-[(Z)-3,3-dimethylbut-1-enyl]butan-2-imine
CID 144673114
tributyl(3H-pyrrol-2-yl)stannane
CID 151743060
bis(2,2-dimethylpropane);3H-pyrrole
CID 160627240
ethane;2-methylpropane;3H-pyrrole
CID 162059223
2,2-dimethylpropane;3H-pyrrole
CID 162259780
N-[(1Z)-3,3-dimethylpenta-1,4-dienyl]propan-1-imine
CID 143703318

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2-fluoro-3H-pyrrole?
The IUPAC name of 2,2-dimethylpropane;2-fluoro-3H-pyrrole (CID 162153992) is 2,2-dimethylpropane;2-fluoro-3H-pyrrole.
What is the SMILES notation for 2,2-dimethylpropane;2-fluoro-3H-pyrrole?
The canonical SMILES for 2,2-dimethylpropane;2-fluoro-3H-pyrrole is CC(C)(C)C.FC1=NC=CC1.
What is the InChIKey of 2,2-dimethylpropane;2-fluoro-3H-pyrrole?
The InChIKey is ZLORVSRJTCSCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H4FN/c1-5(2,3)4;5-4-2-1-3-6-4/h1-4H3;1,3H,2H2.
What are the key properties of 2,2-dimethylpropane;2-fluoro-3H-pyrrole?
2,2-dimethylpropane;2-fluoro-3H-pyrrole has a molecular weight of 157.23 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2-fluoro-3H-pyrrole is sourced from PubChem (CID 162153992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).