1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol

C14H14F3NO — CID 3127242

IUPAC1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol
SMILESCCn1c(-c2ccccc2)ccc1C(O)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-2-18-11(10-6-4-3-5-7-10)8-9-12(18)13(19)14(15,16)17/h3-9,13,19H,2H2,1H3
InChIKeyBNJMAOUJRSSOLL-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.77
Rot. Bonds3

About 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol

1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol (PubChem CID 3127242) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol
PubChem CID3127242
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol
SMILESCCn1c(-c2ccccc2)ccc1C(O)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-2-18-11(10-6-4-3-5-7-10)8-9-12(18)13(19)14(15,16)17/h3-9,13,19H,2H2,1H3
InChIKeyBNJMAOUJRSSOLL-UHFFFAOYSA-N
XLogP3.77
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 315585
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CID 11842269
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CID 49862353
5-(4-(1-hydroxypropyl)phenyl)-1-methyl-1H-pyrrole-2-carbonitrile
CID 49862354
1-(6-(Trifluoromethyl)pyridin-3-yl)ethanol
CID 49760380
2F-Viminol
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1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1-yl-ethanol
CID 11231451
1-(5-Phenyl-1H-pyrrole-2-yl)-2,2,2-trifluoroethanol
CID 3127243
2-(Dibutylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol
CID 90669382
(3-Fluorophenyl)(pyridin-2-yl)methanol
CID 23467199
1-(5-(Trifluoromethyl)pyridin-2-yl)ethan-1-ol
CID 77230907
3-Pyridinemethanol, alpha-methyl-6-(trifluoromethyl)-, (alphaR)-
CID 96532185

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol (CID 3127242) is 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol is CCn1c(-c2ccccc2)ccc1C(O)C(F)(F)F.
What is the InChIKey of 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is BNJMAOUJRSSOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-18-11(10-6-4-3-5-7-10)8-9-12(18)13(19)14(15,16)17/h3-9,13,19H,2H2,1H3.
What are the key properties of 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol?
1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 269.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 3127242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).