1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol

C11H16F3NO — CID 143389302

IUPAC1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol
SMILESCCC(O)c1cccn1CCCC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-2-10(16)9-5-3-7-15(9)8-4-6-11(12,13)14/h3,5,7,10,16H,2,4,6,8H2,1H3
InChIKeyYQTZHKHLKRYVNO-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.27
Rot. Bonds5

About 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol

1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol (PubChem CID 143389302) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol
PubChem CID143389302
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol
SMILESCCC(O)c1cccn1CCCC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-2-10(16)9-5-3-7-15(9)8-4-6-11(12,13)14/h3,5,7,10,16H,2,4,6,8H2,1H3
InChIKeyYQTZHKHLKRYVNO-UHFFFAOYSA-N
XLogP3.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]ethanamine
CID 115515148
1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-2-amine
CID 115518326
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-2-yl]ethanol
CID 79106001
2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
CID 14788370
1-(4,4,4-trifluorobutyl)pyrimidin-2-one
CID 116618423
5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105120552
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
CID 113359035
2-propan-2-yl-1-[2-(2-propan-2-ylpyrrol-1-yl)ethyl]pyrrole
CID 15112359
(1-ethylpyrrol-2-yl)-methoxymethanol
CID 134511655
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
1-[1-(2-ethoxyethyl)pyrrol-2-yl]ethanol
CID 79107368
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515423

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol?
The IUPAC name of 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol (CID 143389302) is 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol is CCC(O)c1cccn1CCCC(F)(F)F.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol?
The InChIKey is YQTZHKHLKRYVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-10(16)9-5-3-7-15(9)8-4-6-11(12,13)14/h3,5,7,10,16H,2,4,6,8H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol?
1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol has a molecular weight of 235.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]propan-1-ol is sourced from PubChem (CID 143389302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).