(2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine

C17H19F3N2 — CID 151152805

IUPAC(2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine
SMILESNC[C@@H](CCC(F)(F)F)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19F3N2/c18-17(19,20)11-10-16(12-21)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16,22H,10-12,21H2/t16-/m1/s1
InChIKeyMYOSLAGPALDJTK-MRXNPFEDSA-N
MW308.35 g/mol
LogP4.44
Rot. Bonds6

About (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine

(2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine (PubChem CID 151152805) has the molecular formula C17H19F3N2 and a molecular weight of 308.35 g/mol. Its IUPAC name is (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine
PubChem CID151152805
Molecular FormulaC17H19F3N2
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name(2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine
SMILESNC[C@@H](CCC(F)(F)F)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19F3N2/c18-17(19,20)11-10-16(12-21)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16,22H,10-12,21H2/t16-/m1/s1
InChIKeyMYOSLAGPALDJTK-MRXNPFEDSA-N
XLogP4.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine?
The IUPAC name of (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine (CID 151152805) is (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine.
What is the SMILES notation for (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine?
The canonical SMILES for (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine is NC[C@@H](CCC(F)(F)F)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine?
The InChIKey is MYOSLAGPALDJTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19F3N2/c18-17(19,20)11-10-16(12-21)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16,22H,10-12,21H2/t16-/m1/s1.
What are the key properties of (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine?
(2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine has a molecular weight of 308.35 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine is sourced from PubChem (CID 151152805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).