(2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol

C18H21F2NO — CID 10924755

IUPAC(2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)CCc1ccccc1
InChIInChI=1S/C18H21F2NO/c19-18(20,12-11-14-7-3-1-4-8-14)17(22)16(21)13-15-9-5-2-6-10-15/h1-10,16-17,22H,11-13,21H2/t16-,17+/m0/s1
InChIKeyWEDJJIRMFCQVHF-DLBZAZTESA-N
MW305.37 g/mol
LogP3.19
Rot. Bonds7

About (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol

(2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol (PubChem CID 10924755) has the molecular formula C18H21F2NO and a molecular weight of 305.37 g/mol. Its IUPAC name is (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol
PubChem CID10924755
Molecular FormulaC18H21F2NO
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol
SMILESN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)CCc1ccccc1
InChIInChI=1S/C18H21F2NO/c19-18(20,12-11-14-7-3-1-4-8-14)17(22)16(21)13-15-9-5-2-6-10-15/h1-10,16-17,22H,11-13,21H2/t16-,17+/m0/s1
InChIKeyWEDJJIRMFCQVHF-DLBZAZTESA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol?
The IUPAC name of (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol (CID 10924755) is (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol.
What is the SMILES notation for (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol?
The canonical SMILES for (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol is N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)CCc1ccccc1.
What is the InChIKey of (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol?
The InChIKey is WEDJJIRMFCQVHF-DLBZAZTESA-N. The full InChI is InChI=1S/C18H21F2NO/c19-18(20,12-11-14-7-3-1-4-8-14)17(22)16(21)13-15-9-5-2-6-10-15/h1-10,16-17,22H,11-13,21H2/t16-,17+/m0/s1.
What are the key properties of (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol?
(2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol has a molecular weight of 305.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-4,4-difluoro-1,6-diphenylhexan-3-ol is sourced from PubChem (CID 10924755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).