2-(1-fluorobutyl)-2,3-dihydroinden-1-one

C13H15FO — CID 137380205

IUPAC2-(1-fluorobutyl)-2,3-dihydroinden-1-one
SMILESCCCC(F)C1Cc2ccccc2C1=O
InChIInChI=1S/C13H15FO/c1-2-5-12(14)11-8-9-6-3-4-7-10(9)13(11)15/h3-4,6-7,11-12H,2,5,8H2,1H3
InChIKeyKEIWKDHWMWHOLH-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.18
Rot. Bonds3

About 2-(1-fluorobutyl)-2,3-dihydroinden-1-one

2-(1-fluorobutyl)-2,3-dihydroinden-1-one (PubChem CID 137380205) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(1-fluorobutyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(1-fluorobutyl)-2,3-dihydroinden-1-one
PubChem CID137380205
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-(1-fluorobutyl)-2,3-dihydroinden-1-one
SMILESCCCC(F)C1Cc2ccccc2C1=O
InChIInChI=1S/C13H15FO/c1-2-5-12(14)11-8-9-6-3-4-7-10(9)13(11)15/h3-4,6-7,11-12H,2,5,8H2,1H3
InChIKeyKEIWKDHWMWHOLH-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethyl)-2,3-dihydroinden-1-one
CID 122371695
2-methyl-3-pentyl-3,4-dihydro-2H-naphthalen-1-one
CID 161415157
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70423152
2-(2-ethylcyclopropyl)-2,3-dihydroinden-1-one
CID 123722832
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
2-(2-fluoroethyl)-2,3-dihydroinden-1-one
CID 80695760
9H-fluorene;1,1,1,2-tetrafluoropentane
CID 118455816
2-pentylsulfinyl-2,3-dihydroinden-1-one
CID 66655048
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
2-[(4-ethylphenyl)methyl]-2,3-dihydroinden-1-one
CID 15544001
(2R)-2-[[methyl(propan-2-yl)amino]methyl]-2,3-dihydroinden-1-one
CID 129365333

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-(1-fluorobutyl)-2,3-dihydroinden-1-one (CID 137380205) is 2-(1-fluorobutyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(1-fluorobutyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(1-fluorobutyl)-2,3-dihydroinden-1-one is CCCC(F)C1Cc2ccccc2C1=O.
What is the InChIKey of 2-(1-fluorobutyl)-2,3-dihydroinden-1-one?
The InChIKey is KEIWKDHWMWHOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-2-5-12(14)11-8-9-6-3-4-7-10(9)13(11)15/h3-4,6-7,11-12H,2,5,8H2,1H3.
What are the key properties of 2-(1-fluorobutyl)-2,3-dihydroinden-1-one?
2-(1-fluorobutyl)-2,3-dihydroinden-1-one has a molecular weight of 206.26 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 137380205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).