1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine

C22H18F5NO — CID 87758731

IUPAC1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine
SMILESNC(c1ccc(F)cc1)C(OC(F)(F)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18F5NO/c23-18-13-11-15(12-14-18)19(28)21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)29-22(26,27)20(24)25/h1-14,19-20H,28H2
InChIKeySPCWGXPRROLDLR-UHFFFAOYSA-N
MW407.38 g/mol
LogP5.64
Rot. Bonds7

About 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine

1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine (PubChem CID 87758731) has the molecular formula C22H18F5NO and a molecular weight of 407.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine
PubChem CID87758731
Molecular FormulaC22H18F5NO
Molecular Weight407.38 g/mol
Exact Mass407.13
IUPAC Name1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine
SMILESNC(c1ccc(F)cc1)C(OC(F)(F)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18F5NO/c23-18-13-11-15(12-14-18)19(28)21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)29-22(26,27)20(24)25/h1-14,19-20H,28H2
InChIKeySPCWGXPRROLDLR-UHFFFAOYSA-N
XLogP5.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.38
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine 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

(4-fluorophenyl)-phenylmethanamine
CID 11183272
1-fluoro-3-[(4-fluorophenyl)-phenylmethyl]-5-(1,1,2,2-tetrafluoroethoxy)benzene
CID 143471848
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
1-(4-fluorophenyl)-2-phenoxypropan-1-amine
CID 16782575
(1S)-1-(4-benzylphenyl)-2,2,2-trifluoroethanamine
CID 66512282
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
bis(4-fluorophenyl)methanamine
CID 10955039
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
(1S)-2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-amine
CID 171311776
(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate
CID 71365812
fluorobenzene;fluoroform
CID 158907062
1-(4-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933363

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine (CID 87758731) is 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine is NC(c1ccc(F)cc1)C(OC(F)(F)C(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine?
The InChIKey is SPCWGXPRROLDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F5NO/c23-18-13-11-15(12-14-18)19(28)21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)29-22(26,27)20(24)25/h1-14,19-20H,28H2.
What are the key properties of 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine?
1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine has a molecular weight of 407.38 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-diphenyl-2-(1,1,2,2-tetrafluoroethoxy)ethanamine is sourced from PubChem (CID 87758731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).