3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine

C14H21F2NO — CID 19034191

IUPAC3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine
SMILESNCCC(F)(F)CCCOCCc1ccccc1
InChIInChI=1S/C14H21F2NO/c15-14(16,9-10-17)8-4-11-18-12-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,17H2
InChIKeyMTIPTTKLRIWGEW-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.01
Rot. Bonds9

About 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine

3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine (PubChem CID 19034191) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine
PubChem CID19034191
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine
SMILESNCCC(F)(F)CCCOCCc1ccccc1
InChIInChI=1S/C14H21F2NO/c15-14(16,9-10-17)8-4-11-18-12-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,17H2
InChIKeyMTIPTTKLRIWGEW-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine?
The IUPAC name of 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine (CID 19034191) is 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine.
What is the SMILES notation for 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine?
The canonical SMILES for 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine is NCCC(F)(F)CCCOCCc1ccccc1.
What is the InChIKey of 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine?
The InChIKey is MTIPTTKLRIWGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c15-14(16,9-10-17)8-4-11-18-12-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,17H2.
What are the key properties of 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine?
3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(2-phenylethoxy)hexan-1-amine is sourced from PubChem (CID 19034191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).