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

C9H12F3NO — CID 165448386

IUPAC[1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESCC(C)n1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C9H12F3NO/c1-6(2)13-3-7(5-14)8(4-13)9(10,11)12/h3-4,6,14H,5H2,1-2H3
InChIKeyWMZXZVZRMVQDOB-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.58
Rot. Bonds2

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

[1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol (PubChem CID 165448386) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is [1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol
PubChem CID165448386
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name[1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESCC(C)n1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C9H12F3NO/c1-6(2)13-3-7(5-14)8(4-13)9(10,11)12/h3-4,6,14H,5H2,1-2H3
InChIKeyWMZXZVZRMVQDOB-UHFFFAOYSA-N
XLogP2.58
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol (CID 165448386) is [1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol is CC(C)n1cc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The InChIKey is WMZXZVZRMVQDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6(2)13-3-7(5-14)8(4-13)9(10,11)12/h3-4,6,14H,5H2,1-2H3.
What are the key properties of [1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
[1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol has a molecular weight of 207.19 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-4-(trifluoromethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 165448386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).