[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol

C9H12F3NO — CID 115515037

IUPAC[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(CCCC(F)(F)F)c1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)3-1-4-13-5-2-8(6-13)7-14/h2,5-6,14H,1,3-4,7H2
InChIKeyRXYSKZHPYGNSGN-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.32
Rot. Bonds4

About [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol

[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol (PubChem CID 115515037) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol
PubChem CID115515037
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(CCCC(F)(F)F)c1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)3-1-4-13-5-2-8(6-13)7-14/h2,5-6,14H,1,3-4,7H2
InChIKeyRXYSKZHPYGNSGN-UHFFFAOYSA-N
XLogP2.32
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpyrrole-3-methanol
CID 149434
3-(2-Resp-3-methyl-1-pyrrolyl)propanol
CID 70163108
4-Pyrrol-1-ylbutan-1-ol
CID 12794992
(1H-Pyrrol-3-yl)methanol
CID 21983502
1-Methyl-4-(trifluoromethyl)pyrrol-2-ol
CID 11321153
1-(2-propynyl)-3-trifluoromethyl-1H-pyrrole-4-methanol
CID 14370788
[1-(Trifluoromethyl)pyrrol-3-yl]methanol
CID 21221494
2,2,3,3,4,4,4-Heptafluoro-1-pyrrol-1-ylbutan-1-ol
CID 21848601
1-(1-Ethylpyrrol-3-yl)-2,2,2-trifluoroethanol
CID 81604002
[1-Methyl-4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
CID 84656745
[4-(Trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol
CID 140747701
[1-[(2E,3E)-2-ethylidene-4-(trifluoromethoxy)hexa-3,5-dienyl]pyrrol-3-yl]methanol
CID 144770290

Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol (CID 115515037) is [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol is OCc1ccn(CCCC(F)(F)F)c1.
What is the InChIKey of [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol?
The InChIKey is RXYSKZHPYGNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)3-1-4-13-5-2-8(6-13)7-14/h2,5-6,14H,1,3-4,7H2.
What are the key properties of [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol?
[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol has a molecular weight of 207.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 115515037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).