3-[2-fluoroethyl(methyl)amino]propan-1-ol

C6H14FNO — CID 130489596

IUPAC3-[2-fluoroethyl(methyl)amino]propan-1-ol
SMILESCN(CCF)CCCO
InChIInChI=1S/C6H14FNO/c1-8(5-3-7)4-2-6-9/h9H,2-6H2,1H3
InChIKeyCTADSZZSTDMTIU-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.27
Rot. Bonds5

About 3-[2-fluoroethyl(methyl)amino]propan-1-ol

3-[2-fluoroethyl(methyl)amino]propan-1-ol (PubChem CID 130489596) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-[2-fluoroethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-fluoroethyl(methyl)amino]propan-1-ol
PubChem CID130489596
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-[2-fluoroethyl(methyl)amino]propan-1-ol
SMILESCN(CCF)CCCO
InChIInChI=1S/C6H14FNO/c1-8(5-3-7)4-2-6-9/h9H,2-6H2,1H3
InChIKeyCTADSZZSTDMTIU-UHFFFAOYSA-N
XLogP0.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoroethyl(methyl)amino]propan-1-ol?
The IUPAC name of 3-[2-fluoroethyl(methyl)amino]propan-1-ol (CID 130489596) is 3-[2-fluoroethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-fluoroethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-fluoroethyl(methyl)amino]propan-1-ol is CN(CCF)CCCO.
What is the InChIKey of 3-[2-fluoroethyl(methyl)amino]propan-1-ol?
The InChIKey is CTADSZZSTDMTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-8(5-3-7)4-2-6-9/h9H,2-6H2,1H3.
What are the key properties of 3-[2-fluoroethyl(methyl)amino]propan-1-ol?
3-[2-fluoroethyl(methyl)amino]propan-1-ol has a molecular weight of 135.18 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoroethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 130489596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).