2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole

C10H18FN — CID 167204966

IUPAC2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole
SMILESCC(F)CCC(C)C1CC=CN1
InChIInChI=1S/C10H18FN/c1-8(5-6-9(2)11)10-4-3-7-12-10/h3,7-10,12H,4-6H2,1-2H3
InChIKeyMQEJAQCYPRLVED-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.64
Rot. Bonds4

About 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole

2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole (PubChem CID 167204966) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole
PubChem CID167204966
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole
SMILESCC(F)CCC(C)C1CC=CN1
InChIInChI=1S/C10H18FN/c1-8(5-6-9(2)11)10-4-3-7-12-10/h3,7-10,12H,4-6H2,1-2H3
InChIKeyMQEJAQCYPRLVED-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 140575139
(2R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,2,3,4-tetrahydropyridine
CID 141419499
(2R,3R)-2-[(2S)-3-fluoro-2-methylpropyl]-3-methyl-1,2,3,4-tetrahydropyridine
CID 141419504
2-(2-fluoro-2-methylpropyl)-3,3-dimethyl-2,4-dihydro-1H-pyridine
CID 141419508
2-ethyl-4-fluoro-3-propyl-2,3-dihydro-1H-pyrrole
CID 141793033
cis-(1S,3R)-3-fluoro-N-methyl-2-(2-methylbut-3-enyl)cyclohexan-1-amine
CID 163693207
(Z,2S,4R,5R)-7-fluoro-N,3,4,5-tetramethylhept-6-en-2-amine
CID 164044119
2-methyl-3-pentyl-2,3-dihydro-1H-pyrrole
CID 145707117
5,6-difluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 42608941
5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 42608944
1-(4,4-difluorocyclohexyl)-N-methylbut-3-en-1-amine
CID 105108535
1-(4,4-difluorocyclohexyl)-N-methylpent-4-en-1-amine
CID 105153533

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole (CID 167204966) is 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole is CC(F)CCC(C)C1CC=CN1.
What is the InChIKey of 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole?
The InChIKey is MQEJAQCYPRLVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(5-6-9(2)11)10-4-3-7-12-10/h3,7-10,12H,4-6H2,1-2H3.
What are the key properties of 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole?
2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole has a molecular weight of 171.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluorohexan-2-yl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 167204966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).