diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane

C14H22FIn — CID 19904950

IUPACdiethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane
SMILESCC[In](CC)Cc1ccccc1CCCF
InChIInChI=1S/C10H12F.2C2H5.In/c1-9-5-2-3-6-10(9)7-4-8-11;2*1-2;/h2-3,5-6H,1,4,7-8H2;2*1H2,2H3;
InChIKeyNZOITYKNENWWOU-UHFFFAOYSA-N
MW324.15 g/mol
LogP4.20
Rot. Bonds7

About diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane

diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane (PubChem CID 19904950) has the molecular formula C14H22FIn and a molecular weight of 324.15 g/mol. Its IUPAC name is diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane.

Molecular Properties

Compound Namediethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane
PubChem CID19904950
Molecular FormulaC14H22FIn
Molecular Weight324.15 g/mol
Exact Mass324.07
IUPAC Namediethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane
SMILESCC[In](CC)Cc1ccccc1CCCF
InChIInChI=1S/C10H12F.2C2H5.In/c1-9-5-2-3-6-10(9)7-4-8-11;2*1-2;/h2-3,5-6H,1,4,7-8H2;2*1H2,2H3;
InChIKeyNZOITYKNENWWOU-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 88508457
CID 88508457
2-(diethylindiganylmethyl)-N,N-dimethylaniline
CID 88506247
1-(2-fluoroethyl)-2-hexylbenzene
CID 141319097
CID 159940559
CID 159940559
ditert-butyl-[2-(3-fluoropropyl)phenyl]alumane
CID 19904968
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
CID 173139810
CID 173139810
2-(3-fluoropropyl)benzoic acid
CID 83856062

Frequently Asked Questions

What is the IUPAC name of diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane?
The IUPAC name of diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane (CID 19904950) is diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane.
What is the SMILES notation for diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane?
The canonical SMILES for diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane is CC[In](CC)Cc1ccccc1CCCF.
What is the InChIKey of diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane?
The InChIKey is NZOITYKNENWWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F.2C2H5.In/c1-9-5-2-3-6-10(9)7-4-8-11;2*1-2;/h2-3,5-6H,1,4,7-8H2;2*1H2,2H3;.
What are the key properties of diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane?
diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane has a molecular weight of 324.15 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[2-(3-fluoropropyl)phenyl]methyl]indigane is sourced from PubChem (CID 19904950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).