[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol

C7H8F3NO — CID 84656745

IUPAC[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C7H8F3NO/c1-11-2-5(4-12)6(3-11)7(8,9)10/h2-3,12H,4H2,1H3
InChIKeyHKVWDZCOULRPAH-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.54
Rot. Bonds1

About [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol

[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol (PubChem CID 84656745) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol
PubChem CID84656745
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C7H8F3NO/c1-11-2-5(4-12)6(3-11)7(8,9)10/h2-3,12H,4H2,1H3
InChIKeyHKVWDZCOULRPAH-UHFFFAOYSA-N
XLogP1.54
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol (CID 84656745) is [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol is Cn1cc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The InChIKey is HKVWDZCOULRPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-11-2-5(4-12)6(3-11)7(8,9)10/h2-3,12H,4H2,1H3.
What are the key properties of [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol has a molecular weight of 179.14 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 84656745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).