[1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol

C9H8F3NO — CID 14370788

IUPAC[1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESC#CCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-2-3-13-4-7(6-14)8(5-13)9(10,11)12/h1,4-5,14H,3,6H2
InChIKeyPZJQMTRHQYCFEM-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.63
Rot. Bonds2

About [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol

[1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol (PubChem CID 14370788) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol
PubChem CID14370788
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name[1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESC#CCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-2-3-13-4-7(6-14)8(5-13)9(10,11)12/h1,4-5,14H,3,6H2
InChIKeyPZJQMTRHQYCFEM-UHFFFAOYSA-N
XLogP1.63
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol (CID 14370788) is [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol is C#CCn1cc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The InChIKey is PZJQMTRHQYCFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-2-3-13-4-7(6-14)8(5-13)9(10,11)12/h1,4-5,14H,3,6H2.
What are the key properties of [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
[1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol has a molecular weight of 203.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-prop-2-ynyl-4-(trifluoromethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 14370788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).