1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol

C12H13ClFNO — CID 82269259

IUPAC1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol
SMILESCCn1c(Cl)c(C(C)O)c2cccc(F)c21
InChIInChI=1S/C12H13ClFNO/c1-3-15-11-8(5-4-6-9(11)14)10(7(2)16)12(15)13/h4-7,16H,3H2,1-2H3
InChIKeyDZLCTCAQHNHTEV-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.51
Rot. Bonds2

About 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol

1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol (PubChem CID 82269259) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol
PubChem CID82269259
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol
SMILESCCn1c(Cl)c(C(C)O)c2cccc(F)c21
InChIInChI=1S/C12H13ClFNO/c1-3-15-11-8(5-4-6-9(11)14)10(7(2)16)12(15)13/h4-7,16H,3H2,1-2H3
InChIKeyDZLCTCAQHNHTEV-UHFFFAOYSA-N
XLogP3.51
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol
CID 82268661
(E)-3-(2-chloro-1-ethyl-7-fluoroindol-3-yl)-2-methylprop-2-enoic acid
CID 82269262
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol
CID 82268978
(E)-3-[2-chloro-7-fluoro-1-(2-methylpropyl)indol-3-yl]prop-2-enoic acid
CID 82269277
1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol
CID 82268397
(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248609
[2-chloro-7-fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 82269307
3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol
CID 83967143
2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
CID 82494429
1-(2-fluoro-6-naphthalen-1-yloxyphenyl)ethanol
CID 43506509

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol?
The IUPAC name of 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol (CID 82269259) is 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol?
The canonical SMILES for 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol is CCn1c(Cl)c(C(C)O)c2cccc(F)c21.
What is the InChIKey of 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol?
The InChIKey is DZLCTCAQHNHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-3-15-11-8(5-4-6-9(11)14)10(7(2)16)12(15)13/h4-7,16H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol?
1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol has a molecular weight of 241.69 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol is sourced from PubChem (CID 82269259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).