2,2-difluoro-2-(1H-indol-3-yl)ethanol

C10H9F2NO — CID 116841147

IUPAC2,2-difluoro-2-(1H-indol-3-yl)ethanol
SMILESOCC(F)(F)c1c[nH]c2ccccc12
InChIInChI=1S/C10H9F2NO/c11-10(12,6-14)8-5-13-9-4-2-1-3-7(8)9/h1-5,13-14H,6H2
InChIKeyBTSDRXSRWHJWKG-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.25
Rot. Bonds2

About 2,2-difluoro-2-(1H-indol-3-yl)ethanol

2,2-difluoro-2-(1H-indol-3-yl)ethanol (PubChem CID 116841147) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(1H-indol-3-yl)ethanol
PubChem CID116841147
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2,2-difluoro-2-(1H-indol-3-yl)ethanol
SMILESOCC(F)(F)c1c[nH]c2ccccc12
InChIInChI=1S/C10H9F2NO/c11-10(12,6-14)8-5-13-9-4-2-1-3-7(8)9/h1-5,13-14H,6H2
InChIKeyBTSDRXSRWHJWKG-UHFFFAOYSA-N
XLogP2.25
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-2-(1H-indol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,1-difluoropropyl)-1H-indole
CID 116841267
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723
(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
CID 51922084
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
2-chloropyridine;3-(trifluoromethyl)-1H-indole
CID 158415901
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 42624729
(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride
CID 171245512
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane
CID 159014454

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1H-indol-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(1H-indol-3-yl)ethanol (CID 116841147) is 2,2-difluoro-2-(1H-indol-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(1H-indol-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(1H-indol-3-yl)ethanol is OCC(F)(F)c1c[nH]c2ccccc12.
What is the InChIKey of 2,2-difluoro-2-(1H-indol-3-yl)ethanol?
The InChIKey is BTSDRXSRWHJWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-10(12,6-14)8-5-13-9-4-2-1-3-7(8)9/h1-5,13-14H,6H2.
What are the key properties of 2,2-difluoro-2-(1H-indol-3-yl)ethanol?
2,2-difluoro-2-(1H-indol-3-yl)ethanol has a molecular weight of 197.18 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 116841147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).