2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol

C18H22F2N2O — CID 3011052

IUPAC2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol
SMILESNC(Cc1ccccc1)C(O)C(F)(F)C(N)Cc1ccccc1
InChIInChI=1S/C18H22F2N2O/c19-18(20,16(22)12-14-9-5-2-6-10-14)17(23)15(21)11-13-7-3-1-4-8-13/h1-10,15-17,23H,11-12,21-22H2
InChIKeyOCRVZCTVLJXCAO-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.12
Rot. Bonds7

About 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol

2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol (PubChem CID 3011052) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol.

Molecular Properties

Compound Name2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol
PubChem CID3011052
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol
SMILESNC(Cc1ccccc1)C(O)C(F)(F)C(N)Cc1ccccc1
InChIInChI=1S/C18H22F2N2O/c19-18(20,16(22)12-14-9-5-2-6-10-14)17(23)15(21)11-13-7-3-1-4-8-13/h1-10,15-17,23H,11-12,21-22H2
InChIKeyOCRVZCTVLJXCAO-UHFFFAOYSA-N
XLogP2.12
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol?
The IUPAC name of 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol (CID 3011052) is 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol.
What is the SMILES notation for 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol?
The canonical SMILES for 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol is NC(Cc1ccccc1)C(O)C(F)(F)C(N)Cc1ccccc1.
What is the InChIKey of 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol?
The InChIKey is OCRVZCTVLJXCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c19-18(20,16(22)12-14-9-5-2-6-10-14)17(23)15(21)11-13-7-3-1-4-8-13/h1-10,15-17,23H,11-12,21-22H2.
What are the key properties of 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol?
2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol has a molecular weight of 320.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4,4-difluoro-1,6-diphenylhexan-3-ol is sourced from PubChem (CID 3011052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).