2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine

C12H16F4N2 — CID 114169597

IUPAC2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine
SMILESNCC(CNCC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H16F4N2/c13-11(14)12(15,16)8-18-7-10(6-17)9-4-2-1-3-5-9/h1-5,10-11,18H,6-8,17H2
InChIKeyQBNVZOQVLFUFIG-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.22
Rot. Bonds7

About 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine

2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine (PubChem CID 114169597) has the molecular formula C12H16F4N2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine
PubChem CID114169597
Molecular FormulaC12H16F4N2
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine
SMILESNCC(CNCC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H16F4N2/c13-11(14)12(15,16)8-18-7-10(6-17)9-4-2-1-3-5-9/h1-5,10-11,18H,6-8,17H2
InChIKeyQBNVZOQVLFUFIG-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine
CID 65041354
1-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 61150371
2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628129
N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
CID 106293122
2-phenylpentane-1,5-diamine
CID 22770284
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106295261
2-phenylbutane-1,4-diamine
CID 16770348
N-phenyl-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 114169332
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654
N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
CID 62878034
2-(aminomethyl)-3-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291040
3,3,4,4-tetrafluoro-1-phenylbutan-1-ol
CID 164681881

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine?
The IUPAC name of 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine (CID 114169597) is 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine.
What is the SMILES notation for 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine?
The canonical SMILES for 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine is NCC(CNCC(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine?
The InChIKey is QBNVZOQVLFUFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2/c13-11(14)12(15,16)8-18-7-10(6-17)9-4-2-1-3-5-9/h1-5,10-11,18H,6-8,17H2.
What are the key properties of 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine?
2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine has a molecular weight of 264.27 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-(2,2,3,3-tetrafluoropropyl)propane-1,3-diamine is sourced from PubChem (CID 114169597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).