(2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine

C19H22F5N3O — CID 118429897

IUPAC(2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine
SMILESCC(C)C[C@](N)(CF)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F
InChIInChI=1S/C19H22F5N3O/c1-11(2)7-19(25,9-20)10-28-16-8-27-14(6-13(16)17(21)22)12-3-4-26-15(5-12)18(23)24/h3-6,8,11,17-18H,7,9-10,25H2,1-2H3/t19-/m0/s1
InChIKeyAFMUKAVRUCBENP-IBGZPJMESA-N
MW403.40 g/mol
LogP5.11
Rot. Bonds9

About (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine

(2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine (PubChem CID 118429897) has the molecular formula C19H22F5N3O and a molecular weight of 403.40 g/mol. Its IUPAC name is (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine
PubChem CID118429897
Molecular FormulaC19H22F5N3O
Molecular Weight403.40 g/mol
Exact Mass403.17
IUPAC Name(2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine
SMILESCC(C)C[C@](N)(CF)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F
InChIInChI=1S/C19H22F5N3O/c1-11(2)7-19(25,9-20)10-28-16-8-27-14(6-13(16)17(21)22)12-3-4-26-15(5-12)18(23)24/h3-6,8,11,17-18H,7,9-10,25H2,1-2H3/t19-/m0/s1
InChIKeyAFMUKAVRUCBENP-IBGZPJMESA-N
XLogP5.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine?
The IUPAC name of (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine (CID 118429897) is (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine.
What is the SMILES notation for (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine?
The canonical SMILES for (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine is CC(C)C[C@](N)(CF)COc1cnc(-c2ccnc(C(F)F)c2)cc1C(F)F.
What is the InChIKey of (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine?
The InChIKey is AFMUKAVRUCBENP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22F5N3O/c1-11(2)7-19(25,9-20)10-28-16-8-27-14(6-13(16)17(21)22)12-3-4-26-15(5-12)18(23)24/h3-6,8,11,17-18H,7,9-10,25H2,1-2H3/t19-/m0/s1.
What are the key properties of (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine?
(2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine has a molecular weight of 403.40 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2-(fluoromethyl)-4-methylpentan-2-amine is sourced from PubChem (CID 118429897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).