2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole

C14H14F3N — CID 90932009

IUPAC2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole
SMILESCCC(c1cccc(C(F)(F)F)c1)c1ccc[nH]1
InChIInChI=1S/C14H14F3N/c1-2-12(13-7-4-8-18-13)10-5-3-6-11(9-10)14(15,16)17/h3-9,12,18H,2H2,1H3
InChIKeyZUUSHFSMZBOKRU-UHFFFAOYSA-N
MW253.27 g/mol
LogP4.58
Rot. Bonds3

About 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole

2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole (PubChem CID 90932009) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole
PubChem CID90932009
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole
SMILESCCC(c1cccc(C(F)(F)F)c1)c1ccc[nH]1
InChIInChI=1S/C14H14F3N/c1-2-12(13-7-4-8-18-13)10-5-3-6-11(9-10)14(15,16)17/h3-9,12,18H,2H2,1H3
InChIKeyZUUSHFSMZBOKRU-UHFFFAOYSA-N
XLogP4.58
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 112742722
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901
1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
CID 101326642
5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,3,4-thiadiazol-2-amine
CID 21403434
N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 159006341
1-heptan-3-yl-3-(trifluoromethyl)benzene
CID 132500569
3-amino-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 57455752
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 111969635
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
CID 88515154
CID 88515154
N,N-diethyl-3-[4-[1-[3-(trifluoromethyl)phenyl]propyl]phenoxy]propan-1-amine
CID 173414314
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole (CID 90932009) is 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole is CCC(c1cccc(C(F)(F)F)c1)c1ccc[nH]1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole?
The InChIKey is ZUUSHFSMZBOKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c1-2-12(13-7-4-8-18-13)10-5-3-6-11(9-10)14(15,16)17/h3-9,12,18H,2H2,1H3.
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole?
2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole has a molecular weight of 253.27 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole is sourced from PubChem (CID 90932009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).