(3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol

C21H19F2NO3 — CID 171238973

IUPAC(3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol
SMILESN[C@H](c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1)C(F)(F)CO
InChIInChI=1S/C21H19F2NO3/c22-21(23,14-25)20(24)15-11-12-18(26-16-7-3-1-4-8-16)19(13-15)27-17-9-5-2-6-10-17/h1-13,20,25H,14,24H2/t20-/m1/s1
InChIKeyCXNFEMMCNMVJLJ-HXUWFJFHSA-N
MW371.38 g/mol
LogP4.90
Rot. Bonds7

About (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol

(3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol (PubChem CID 171238973) has the molecular formula C21H19F2NO3 and a molecular weight of 371.38 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol
PubChem CID171238973
Molecular FormulaC21H19F2NO3
Molecular Weight371.38 g/mol
Exact Mass371.13
IUPAC Name(3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol
SMILESN[C@H](c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1)C(F)(F)CO
InChIInChI=1S/C21H19F2NO3/c22-21(23,14-25)20(24)15-11-12-18(26-16-7-3-1-4-8-16)19(13-15)27-17-9-5-2-6-10-17/h1-13,20,25H,14,24H2/t20-/m1/s1
InChIKeyCXNFEMMCNMVJLJ-HXUWFJFHSA-N
XLogP4.90
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3,4-diphenoxyphenyl)-2-fluoroethanamine
CID 171217937
(3R)-3-amino-3-(3,4-diphenoxyphenyl)propan-1-ol
CID 171198479
(4R)-4-amino-4-(3,4-diphenoxyphenyl)butan-1-ol;hydrochloride
CID 171198482
(1S)-1-(3,4-diphenoxyphenyl)propan-1-amine
CID 171217949
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633
(3R)-3-amino-2,2-difluoro-3-(3-phenylphenyl)propan-1-ol
CID 171244503
(3R)-3-amino-2,2-difluoro-3-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 171241583
(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171241497
(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 171243439
(3S)-3-amino-3-(4-ethoxy-3-methoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171250430
(1R)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171198444
(1S)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171217962

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol (CID 171238973) is (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol is N[C@H](c1ccc(Oc2ccccc2)c(Oc2ccccc2)c1)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol?
The InChIKey is CXNFEMMCNMVJLJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19F2NO3/c22-21(23,14-25)20(24)15-11-12-18(26-16-7-3-1-4-8-16)19(13-15)27-17-9-5-2-6-10-17/h1-13,20,25H,14,24H2/t20-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol?
(3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol has a molecular weight of 371.38 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,4-diphenoxyphenyl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 171238973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).