[3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol

C13H11F4NO — CID 170787069

IUPAC[3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CC2C=C(C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C13H11F4NO/c14-12-3-8(7-19)1-2-9(12)4-11-5-10(6-18-11)13(15,16)17/h1-3,5-6,11,19H,4,7H2
InChIKeyIMFAMEKHCXQZOL-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.80
Rot. Bonds3

About [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol

[3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol (PubChem CID 170787069) has the molecular formula C13H11F4NO and a molecular weight of 273.23 g/mol. Its IUPAC name is [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol
PubChem CID170787069
Molecular FormulaC13H11F4NO
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC Name[3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CC2C=C(C(F)(F)F)C=N2)c(F)c1
InChIInChI=1S/C13H11F4NO/c14-12-3-8(7-19)1-2-9(12)4-11-5-10(6-18-11)13(15,16)17/h1-3,5-6,11,19H,4,7H2
InChIKeyIMFAMEKHCXQZOL-UHFFFAOYSA-N
XLogP2.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol (CID 170787069) is [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol is OCc1ccc(CC2C=C(C(F)(F)F)C=N2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol?
The InChIKey is IMFAMEKHCXQZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO/c14-12-3-8(7-19)1-2-9(12)4-11-5-10(6-18-11)13(15,16)17/h1-3,5-6,11,19H,4,7H2.
What are the key properties of [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol?
[3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol has a molecular weight of 273.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[[4-(trifluoromethyl)-2H-pyrrol-2-yl]methyl]phenyl]methanol is sourced from PubChem (CID 170787069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).