1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol

C19H25F4NO — CID 162541473

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(CC1=CC(C)CN1)C(F)(F)F
InChIInChI=1S/C19H25F4NO/c1-12-7-15(24-10-12)9-18(25,19(21,22)23)11-17(3,4)16-8-14(20)6-5-13(16)2/h5-8,12,24-25H,9-11H2,1-4H3
InChIKeyBALFKEYNPQWYCG-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.61
Rot. Bonds5

About 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol (PubChem CID 162541473) has the molecular formula C19H25F4NO and a molecular weight of 359.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol
PubChem CID162541473
Molecular FormulaC19H25F4NO
Molecular Weight359.41 g/mol
Exact Mass359.19
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol
SMILESCc1ccc(F)cc1C(C)(C)CC(O)(CC1=CC(C)CN1)C(F)(F)F
InChIInChI=1S/C19H25F4NO/c1-12-7-15(24-10-12)9-18(25,19(21,22)23)11-17(3,4)16-8-14(20)6-5-13(16)2/h5-8,12,24-25H,9-11H2,1-4H3
InChIKeyBALFKEYNPQWYCG-UHFFFAOYSA-N
XLogP4.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol (CID 162541473) is 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol is Cc1ccc(F)cc1C(C)(C)CC(O)(CC1=CC(C)CN1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol?
The InChIKey is BALFKEYNPQWYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F4NO/c1-12-7-15(24-10-12)9-18(25,19(21,22)23)11-17(3,4)16-8-14(20)6-5-13(16)2/h5-8,12,24-25H,9-11H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol has a molecular weight of 359.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(3-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]pentan-2-ol is sourced from PubChem (CID 162541473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).