1-[4,4-difluoropentyl(methyl)amino]ethanol

C8H17F2NO — CID 138709402

IUPAC1-[4,4-difluoropentyl(methyl)amino]ethanol
SMILESCC(O)N(C)CCCC(C)(F)F
InChIInChI=1S/C8H17F2NO/c1-7(12)11(3)6-4-5-8(2,9)10/h7,12H,4-6H2,1-3H3
InChIKeyKCEHAGTWDAJDKQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.69
Rot. Bonds5

About 1-[4,4-difluoropentyl(methyl)amino]ethanol

1-[4,4-difluoropentyl(methyl)amino]ethanol (PubChem CID 138709402) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-[4,4-difluoropentyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-[4,4-difluoropentyl(methyl)amino]ethanol
PubChem CID138709402
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1-[4,4-difluoropentyl(methyl)amino]ethanol
SMILESCC(O)N(C)CCCC(C)(F)F
InChIInChI=1S/C8H17F2NO/c1-7(12)11(3)6-4-5-8(2,9)10/h7,12H,4-6H2,1-3H3
InChIKeyKCEHAGTWDAJDKQ-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-difluoropentyl(methyl)amino]ethanol?
The IUPAC name of 1-[4,4-difluoropentyl(methyl)amino]ethanol (CID 138709402) is 1-[4,4-difluoropentyl(methyl)amino]ethanol.
What is the SMILES notation for 1-[4,4-difluoropentyl(methyl)amino]ethanol?
The canonical SMILES for 1-[4,4-difluoropentyl(methyl)amino]ethanol is CC(O)N(C)CCCC(C)(F)F.
What is the InChIKey of 1-[4,4-difluoropentyl(methyl)amino]ethanol?
The InChIKey is KCEHAGTWDAJDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-7(12)11(3)6-4-5-8(2,9)10/h7,12H,4-6H2,1-3H3.
What are the key properties of 1-[4,4-difluoropentyl(methyl)amino]ethanol?
1-[4,4-difluoropentyl(methyl)amino]ethanol has a molecular weight of 181.23 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-difluoropentyl(methyl)amino]ethanol is sourced from PubChem (CID 138709402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).