4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile

C16H13FN2 — CID 107853110

IUPAC4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile
SMILESN#Cc1ccc(NC2Cc3ccccc3C2)cc1F
InChIInChI=1S/C16H13FN2/c17-16-9-14(6-5-13(16)10-18)19-15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15,19H,7-8H2
InChIKeyKPPZIGBWXIWPNA-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.28
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile

4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile (PubChem CID 107853110) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile
PubChem CID107853110
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile
SMILESN#Cc1ccc(NC2Cc3ccccc3C2)cc1F
InChIInChI=1S/C16H13FN2/c17-16-9-14(6-5-13(16)10-18)19-15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15,19H,7-8H2
InChIKeyKPPZIGBWXIWPNA-UHFFFAOYSA-N
XLogP3.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile (CID 107853110) is 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile is N#Cc1ccc(NC2Cc3ccccc3C2)cc1F.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile?
The InChIKey is KPPZIGBWXIWPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-16-9-14(6-5-13(16)10-18)19-15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15,19H,7-8H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile?
4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile has a molecular weight of 252.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-ylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 107853110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).