1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol

C20H21F5O2 — CID 10215978

IUPAC1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1F)C(F)(F)F
InChIInChI=1S/C20H21F5O2/c1-18(2,15-10-14(21)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)22/h4-10,26H,11-12H2,1-3H3
InChIKeyRTCUXJJKVDNESS-UHFFFAOYSA-N
MW388.38 g/mol
LogP5.18
Rot. Bonds6

About 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol

1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol (PubChem CID 10215978) has the molecular formula C20H21F5O2 and a molecular weight of 388.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol
PubChem CID10215978
Molecular FormulaC20H21F5O2
Molecular Weight388.38 g/mol
Exact Mass388.15
IUPAC Name1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1F)C(F)(F)F
InChIInChI=1S/C20H21F5O2/c1-18(2,15-10-14(21)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)22/h4-10,26H,11-12H2,1-3H3
InChIKeyRTCUXJJKVDNESS-UHFFFAOYSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
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-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol (CID 10215978) is 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol?
The InChIKey is RTCUXJJKVDNESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F5O2/c1-18(2,15-10-14(21)8-9-17(15)27-3)12-19(26,20(23,24)25)11-13-6-4-5-7-16(13)22/h4-10,26H,11-12H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol?
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol has a molecular weight of 388.38 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 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-methoxyphenyl)-2-[(2-fluorophenyl)methyl]-4-methylpentan-2-ol is sourced from PubChem (CID 10215978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).