2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol

C14H20FNO — CID 23284389

IUPAC2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESCCN(CC)CC1Cc2cc(F)ccc2C1O
InChIInChI=1S/C14H20FNO/c1-3-16(4-2)9-11-7-10-8-12(15)5-6-13(10)14(11)17/h5-6,8,11,14,17H,3-4,7,9H2,1-2H3
InChIKeyAVQUWIATCHFFIK-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.37
Rot. Bonds4

About 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol

2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 23284389) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID23284389
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESCCN(CC)CC1Cc2cc(F)ccc2C1O
InChIInChI=1S/C14H20FNO/c1-3-16(4-2)9-11-7-10-8-12(15)5-6-13(10)14(11)17/h5-6,8,11,14,17H,3-4,7,9H2,1-2H3
InChIKeyAVQUWIATCHFFIK-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol (CID 23284389) is 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol is CCN(CC)CC1Cc2cc(F)ccc2C1O.
What is the InChIKey of 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AVQUWIATCHFFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-16(4-2)9-11-7-10-8-12(15)5-6-13(10)14(11)17/h5-6,8,11,14,17H,3-4,7,9H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol?
2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 23284389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).