[4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol

C15H13F6NO — CID 143114009

IUPAC[4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol
SMILESOCc1ccc(CCC2N=C(C(F)(F)F)C=C2C(F)(F)F)cc1
InChIInChI=1S/C15H13F6NO/c16-14(17,18)11-7-13(15(19,20)21)22-12(11)6-5-9-1-3-10(8-23)4-2-9/h1-4,7,12,23H,5-6,8H2
InChIKeyRBICDNLFEFILSU-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.99
Rot. Bonds4

About [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol

[4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol (PubChem CID 143114009) has the molecular formula C15H13F6NO and a molecular weight of 337.26 g/mol. Its IUPAC name is [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol
PubChem CID143114009
Molecular FormulaC15H13F6NO
Molecular Weight337.26 g/mol
Exact Mass337.09
IUPAC Name[4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol
SMILESOCc1ccc(CCC2N=C(C(F)(F)F)C=C2C(F)(F)F)cc1
InChIInChI=1S/C15H13F6NO/c16-14(17,18)11-7-13(15(19,20)21)22-12(11)6-5-9-1-3-10(8-23)4-2-9/h1-4,7,12,23H,5-6,8H2
InChIKeyRBICDNLFEFILSU-UHFFFAOYSA-N
XLogP3.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol?
The IUPAC name of [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol (CID 143114009) is [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol?
The canonical SMILES for [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol is OCc1ccc(CCC2N=C(C(F)(F)F)C=C2C(F)(F)F)cc1.
What is the InChIKey of [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol?
The InChIKey is RBICDNLFEFILSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6NO/c16-14(17,18)11-7-13(15(19,20)21)22-12(11)6-5-9-1-3-10(8-23)4-2-9/h1-4,7,12,23H,5-6,8H2.
What are the key properties of [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol?
[4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol has a molecular weight of 337.26 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3,5-bis(trifluoromethyl)-2H-pyrrol-2-yl]ethyl]phenyl]methanol is sourced from PubChem (CID 143114009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).