(1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol

C19H14F5N3O — CID 118307547

IUPAC(1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol
SMILESO[C@H](c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)F
InChIInChI=1S/C19H14F5N3O/c20-17(21)16(28)12-6-4-11(5-7-12)13-2-1-3-14(10-13)26-18-25-9-8-15(27-18)19(22,23)24/h1-10,16-17,28H,(H,25,26,27)/t16-/m1/s1
InChIKeyKXMUJQHVBKEWHR-MRXNPFEDSA-N
MW395.33 g/mol
LogP5.20
Rot. Bonds5

About (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol

(1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol (PubChem CID 118307547) has the molecular formula C19H14F5N3O and a molecular weight of 395.33 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol
PubChem CID118307547
Molecular FormulaC19H14F5N3O
Molecular Weight395.33 g/mol
Exact Mass395.11
IUPAC Name(1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol
SMILESO[C@H](c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)F
InChIInChI=1S/C19H14F5N3O/c20-17(21)16(28)12-6-4-11(5-7-12)13-2-1-3-14(10-13)26-18-25-9-8-15(27-18)19(22,23)24/h1-10,16-17,28H,(H,25,26,27)/t16-/m1/s1
InChIKeyKXMUJQHVBKEWHR-MRXNPFEDSA-N
XLogP5.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol with MolForge

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Related Compounds

8-(6-(4-(Trifluoromethyl)phenyl)-pyrimidin-4-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11951910
1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-ol
CID 11523411
6-Fluoro-8-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11951545
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824393
(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624
(1R)-2-[[6-[3-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204625
(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626
2-[[2-[3-(2-Morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530119
2-[[2-[3-[4-[(Dimethylamino)methyl]phenyl]anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530121
3-[[4-[[2-Hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-2-yl]amino]benzonitrile
CID 44530268
3-[[4-[[2-Hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-2-yl]amino]benzonitrile
CID 44530272
2-[[2-(3-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530274

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol?
The IUPAC name of (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol (CID 118307547) is (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol.
What is the SMILES notation for (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol?
The canonical SMILES for (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol is O[C@H](c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)F.
What is the InChIKey of (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol?
The InChIKey is KXMUJQHVBKEWHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H14F5N3O/c20-17(21)16(28)12-6-4-11(5-7-12)13-2-1-3-14(10-13)26-18-25-9-8-15(27-18)19(22,23)24/h1-10,16-17,28H,(H,25,26,27)/t16-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol?
(1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol has a molecular weight of 395.33 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol is sourced from PubChem (CID 118307547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).