1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol

C14H14F3NO — CID 79107382

IUPAC1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO/c1-10(19)13-6-3-7-18(13)9-11-4-2-5-12(8-11)14(15,16)17/h2-8,10,19H,9H2,1H3
InChIKeyAKJZRNKJSDLAQE-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.61
Rot. Bonds3

About 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol

1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol (PubChem CID 79107382) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol
PubChem CID79107382
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO/c1-10(19)13-6-3-7-18(13)9-11-4-2-5-12(8-11)14(15,16)17/h2-8,10,19H,9H2,1H3
InChIKeyAKJZRNKJSDLAQE-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol
CID 79106312
N-benzyl-2-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
CID 3455354
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 62730727
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659
2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
CID 102969413
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
(2R)-3-methyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]butan-2-amine
CID 7207186
trimethyl-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]silane
CID 141355979
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol (CID 79107382) is 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol is CC(O)c1cccn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol?
The InChIKey is AKJZRNKJSDLAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-10(19)13-6-3-7-18(13)9-11-4-2-5-12(8-11)14(15,16)17/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol?
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol has a molecular weight of 269.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 79107382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).