2-[3-fluoropropyl(propyl)amino]ethanol

C8H18FNO — CID 81113201

IUPAC2-[3-fluoropropyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCF
InChIInChI=1S/C8H18FNO/c1-2-5-10(7-8-11)6-3-4-9/h11H,2-8H2,1H3
InChIKeySSHBETMCQJJDKP-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.05
Rot. Bonds7

About 2-[3-fluoropropyl(propyl)amino]ethanol

2-[3-fluoropropyl(propyl)amino]ethanol (PubChem CID 81113201) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-[3-fluoropropyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-fluoropropyl(propyl)amino]ethanol
PubChem CID81113201
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name2-[3-fluoropropyl(propyl)amino]ethanol
SMILESCCCN(CCO)CCCF
InChIInChI=1S/C8H18FNO/c1-2-5-10(7-8-11)6-3-4-9/h11H,2-8H2,1H3
InChIKeySSHBETMCQJJDKP-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N,N-dipropylpropan-1-amine
CID 87847848
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[heptyl(propyl)amino]ethanol;methanethiol
CID 177227133
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[pent-4-ynyl(propyl)amino]ethanol
CID 115872793
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoropropyl(propyl)amino]ethanol?
The IUPAC name of 2-[3-fluoropropyl(propyl)amino]ethanol (CID 81113201) is 2-[3-fluoropropyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[3-fluoropropyl(propyl)amino]ethanol?
The canonical SMILES for 2-[3-fluoropropyl(propyl)amino]ethanol is CCCN(CCO)CCCF.
What is the InChIKey of 2-[3-fluoropropyl(propyl)amino]ethanol?
The InChIKey is SSHBETMCQJJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-2-5-10(7-8-11)6-3-4-9/h11H,2-8H2,1H3.
What are the key properties of 2-[3-fluoropropyl(propyl)amino]ethanol?
2-[3-fluoropropyl(propyl)amino]ethanol has a molecular weight of 163.24 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoropropyl(propyl)amino]ethanol is sourced from PubChem (CID 81113201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).