6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine

C14H21F2NO — CID 50993080

IUPAC6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine
SMILESNCCCCCCOCC(F)(F)c1ccccc1
InChIInChI=1S/C14H21F2NO/c15-14(16,13-8-4-3-5-9-13)12-18-11-7-2-1-6-10-17/h3-5,8-9H,1-2,6-7,10-12,17H2
InChIKeyZAVGLNVUWHAKNQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.31
Rot. Bonds9

About 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine

6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine (PubChem CID 50993080) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine
PubChem CID50993080
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine
SMILESNCCCCCCOCC(F)(F)c1ccccc1
InChIInChI=1S/C14H21F2NO/c15-14(16,13-8-4-3-5-9-13)12-18-11-7-2-1-6-10-17/h3-5,8-9H,1-2,6-7,10-12,17H2
InChIKeyZAVGLNVUWHAKNQ-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine?
The IUPAC name of 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine (CID 50993080) is 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine.
What is the SMILES notation for 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine?
The canonical SMILES for 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine is NCCCCCCOCC(F)(F)c1ccccc1.
What is the InChIKey of 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine?
The InChIKey is ZAVGLNVUWHAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c15-14(16,13-8-4-3-5-9-13)12-18-11-7-2-1-6-10-17/h3-5,8-9H,1-2,6-7,10-12,17H2.
What are the key properties of 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine?
6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine is sourced from PubChem (CID 50993080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).