(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol

C16H11ClF3NO — CID 42624729

IUPAC(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
SMILESO[C@](c1ccc(Cl)cc1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C16H11ClF3NO/c17-11-7-5-10(6-8-11)15(22,16(18,19)20)13-9-21-14-4-2-1-3-12(13)14/h1-9,21-22H/t15-/m1/s1
InChIKeyHIDMGZQDNIQSRR-OAHLLOKOSA-N
MW325.72 g/mol
LogP4.62
Rot. Bonds2

About (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol

(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol (PubChem CID 42624729) has the molecular formula C16H11ClF3NO and a molecular weight of 325.72 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
PubChem CID42624729
Molecular FormulaC16H11ClF3NO
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC Name(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
SMILESO[C@](c1ccc(Cl)cc1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C16H11ClF3NO/c17-11-7-5-10(6-8-11)15(22,16(18,19)20)13-9-21-14-4-2-1-3-12(13)14/h1-9,21-22H/t15-/m1/s1
InChIKeyHIDMGZQDNIQSRR-OAHLLOKOSA-N
XLogP4.62
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
CID 51922084
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 41037811
ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 143372133
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
CID 141157758
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
CID 25192384
ethyl (2S)-2-(4-chlorophenyl)-2-(1H-indol-3-yl)-3-nitropropanoate
CID 102231763
6-chloro-3-[1,1,1-trifluoro-2-(1H-indol-3-yl)hexan-2-yl]-1H-indole
CID 176897884
2-chloropyridine;3-(trifluoromethyl)-1H-indole
CID 158415901
2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 1493686
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol (CID 42624729) is (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol is O[C@](c1ccc(Cl)cc1)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
The InChIKey is HIDMGZQDNIQSRR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H11ClF3NO/c17-11-7-5-10(6-8-11)15(22,16(18,19)20)13-9-21-14-4-2-1-3-12(13)14/h1-9,21-22H/t15-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol?
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol has a molecular weight of 325.72 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 42624729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).