1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile

C15H18FN — CID 114280383

IUPAC1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(CCCCCF)CCc2ccccc21
InChIInChI=1S/C15H18FN/c16-11-5-1-4-9-15(12-17)10-8-13-6-2-3-7-14(13)15/h2-3,6-7H,1,4-5,8-11H2
InChIKeyCOVXWLYUNNONAJ-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.92
Rot. Bonds5

About 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile

1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile (PubChem CID 114280383) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile
PubChem CID114280383
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(CCCCCF)CCc2ccccc21
InChIInChI=1S/C15H18FN/c16-11-5-1-4-9-15(12-17)10-8-13-6-2-3-7-14(13)15/h2-3,6-7H,1,4-5,8-11H2
InChIKeyCOVXWLYUNNONAJ-UHFFFAOYSA-N
XLogP3.92
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2,3-dihydroindene-1-carbonitrile
CID 65408816
1-octyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376390
1-(3-methoxypropyl)-2,3-dihydroindene-1-carbonitrile
CID 65409010
1-(3-ethylsulfonylpropyl)-2,3-dihydroindene-1-carbonitrile
CID 65408044
1-(2-methoxyethyl)-2,3-dihydroindene-1-carbonitrile
CID 65407473
(1S)-1-(cyanomethyl)-2,3-dihydroindene-1-carbonitrile
CID 6925451
1-(4-methoxybutyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 104650512
1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindene-1-carbonitrile
CID 103415058
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 65376812
1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 112645128
1-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 114277353
1-(thiophen-3-ylmethyl)-2,3-dihydroindene-1-carbonitrile
CID 65408435

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile (CID 114280383) is 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile is N#CC1(CCCCCF)CCc2ccccc21.
What is the InChIKey of 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile?
The InChIKey is COVXWLYUNNONAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c16-11-5-1-4-9-15(12-17)10-8-13-6-2-3-7-14(13)15/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile?
1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile has a molecular weight of 231.31 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 114280383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).