[6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol

C12H11ClF3NO2 — CID 106705438

IUPAC[6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol
SMILESOCc1cn(COCC(F)(F)F)c2cc(Cl)ccc12
InChIInChI=1S/C12H11ClF3NO2/c13-9-1-2-10-8(5-18)4-17(11(10)3-9)7-19-6-12(14,15)16/h1-4,18H,5-7H2
InChIKeyQIGMWAKSRSSZFX-UHFFFAOYSA-N
MW293.67 g/mol
LogP3.32
Rot. Bonds4

About [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol

[6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol (PubChem CID 106705438) has the molecular formula C12H11ClF3NO2 and a molecular weight of 293.67 g/mol. Its IUPAC name is [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol.

Molecular Properties

Compound Name[6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol
PubChem CID106705438
Molecular FormulaC12H11ClF3NO2
Molecular Weight293.67 g/mol
Exact Mass293.04
IUPAC Name[6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol
SMILESOCc1cn(COCC(F)(F)F)c2cc(Cl)ccc12
InChIInChI=1S/C12H11ClF3NO2/c13-9-1-2-10-8(5-18)4-17(11(10)3-9)7-19-6-12(14,15)16/h1-4,18H,5-7H2
InChIKeyQIGMWAKSRSSZFX-UHFFFAOYSA-N
XLogP3.32
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methanol
CID 106930114
6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol
CID 107705771
[6-chloro-1-[(5-fluoro-2-methylphenyl)methyl]indol-3-yl]methanol
CID 105372625
[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 86725584
N-[[6-chloro-1-(cyclopropylmethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 106930200
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
[1-[(5-chloro-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66398877
6-chloro-1-ethyl-3-(piperidin-1-ylmethyl)indole
CID 117178863
6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
CID 107705897
[3,5-dichloro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]methanol
CID 61490364
N-[(6-chloro-1-ethylindol-3-yl)methyl]cyclopentanamine
CID 117178828

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol?
The IUPAC name of [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol (CID 106705438) is [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol.
What is the SMILES notation for [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol?
The canonical SMILES for [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol is OCc1cn(COCC(F)(F)F)c2cc(Cl)ccc12.
What is the InChIKey of [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol?
The InChIKey is QIGMWAKSRSSZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO2/c13-9-1-2-10-8(5-18)4-17(11(10)3-9)7-19-6-12(14,15)16/h1-4,18H,5-7H2.
What are the key properties of [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol?
[6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol has a molecular weight of 293.67 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(2,2,2-trifluoroethoxymethyl)indol-3-yl]methanol is sourced from PubChem (CID 106705438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).