1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol

C14H18FNO — CID 117119655

IUPAC1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol
SMILESCCn1cc(CC(C)(C)O)c2c(F)cccc21
InChIInChI=1S/C14H18FNO/c1-4-16-9-10(8-14(2,3)17)13-11(15)6-5-7-12(13)16/h5-7,9,17H,4,8H2,1-3H3
InChIKeyRKFQMFGVLZNYCU-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.11
Rot. Bonds3

About 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol

1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol (PubChem CID 117119655) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol
PubChem CID117119655
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol
SMILESCCn1cc(CC(C)(C)O)c2c(F)cccc21
InChIInChI=1S/C14H18FNO/c1-4-16-9-10(8-14(2,3)17)13-11(15)6-5-7-12(13)16/h5-7,9,17H,4,8H2,1-3H3
InChIKeyRKFQMFGVLZNYCU-UHFFFAOYSA-N
XLogP3.11
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
CID 117171919
3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
CID 117171901
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol
CID 117120932
2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine
CID 117119694
1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol
CID 117197676
1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol
CID 117204407
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
1-(1-ethylindol-7-yl)-2-methylpropan-2-ol
CID 115115004
3-[(dimethylamino)methyl]-1-ethylindol-4-amine
CID 117171719
3-(ethoxymethyl)-1-ethylindol-4-amine
CID 117171998
1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117197609
3-[1-ethyl-4-(trifluoromethyl)indol-3-yl]-2-methylpropanoic acid
CID 117119580

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol (CID 117119655) is 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol is CCn1cc(CC(C)(C)O)c2c(F)cccc21.
What is the InChIKey of 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol?
The InChIKey is RKFQMFGVLZNYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-16-9-10(8-14(2,3)17)13-11(15)6-5-7-12(13)16/h5-7,9,17H,4,8H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol?
1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol has a molecular weight of 235.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117119655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).