3-[3-fluoropropyl(methyl)amino]propan-1-olate

C7H15FNO- — CID 163742992

IUPAC3-[3-fluoropropyl(methyl)amino]propan-1-olate
SMILESCN(CCC[O-])CCCF
InChIInChI=1S/C7H15FNO/c1-9(5-2-4-8)6-3-7-10/h2-7H2,1H3/q-1
InChIKeyLJKBZJZTBDYTGB-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.03
Rot. Bonds6

About 3-[3-fluoropropyl(methyl)amino]propan-1-olate

3-[3-fluoropropyl(methyl)amino]propan-1-olate (PubChem CID 163742992) has the molecular formula C7H15FNO- and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-[3-fluoropropyl(methyl)amino]propan-1-olate.

Molecular Properties

Compound Name3-[3-fluoropropyl(methyl)amino]propan-1-olate
PubChem CID163742992
Molecular FormulaC7H15FNO-
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name3-[3-fluoropropyl(methyl)amino]propan-1-olate
SMILESCN(CCC[O-])CCCF
InChIInChI=1S/C7H15FNO/c1-9(5-2-4-8)6-3-7-10/h2-7H2,1H3/q-1
InChIKeyLJKBZJZTBDYTGB-UHFFFAOYSA-N
XLogP0.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N,N-dimethylpropan-1-amine
CID 547431
1-(Diethylamino)ethyl hypofluorite
CID 18952774
3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine
CID 121359017
3-Fluoro-1-(3-methoxypropyl)azetidine
CID 130270363
N-ethyl-N-fluoro-3-methoxypropan-1-amine
CID 154513537
2,2-difluoro-3-methoxy-N,N-dimethylpropan-1-amine
CID 170601420
Fluoromethyl-(3-methoxypropyl)-dimethylazanium
CID 176706226
Potassium;carbanide;3-(dimethylamino)-2,2-difluoropropan-1-olate
CID 177033178
3-Diethylaminopropyloxy hydrochloride
CID 129782706
3-[2-Fluoroethyl(methyl)amino]propan-1-ol
CID 130489596
3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine
CID 156860918

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoropropyl(methyl)amino]propan-1-olate?
The IUPAC name of 3-[3-fluoropropyl(methyl)amino]propan-1-olate (CID 163742992) is 3-[3-fluoropropyl(methyl)amino]propan-1-olate.
What is the SMILES notation for 3-[3-fluoropropyl(methyl)amino]propan-1-olate?
The canonical SMILES for 3-[3-fluoropropyl(methyl)amino]propan-1-olate is CN(CCC[O-])CCCF.
What is the InChIKey of 3-[3-fluoropropyl(methyl)amino]propan-1-olate?
The InChIKey is LJKBZJZTBDYTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FNO/c1-9(5-2-4-8)6-3-7-10/h2-7H2,1H3/q-1.
What are the key properties of 3-[3-fluoropropyl(methyl)amino]propan-1-olate?
3-[3-fluoropropyl(methyl)amino]propan-1-olate has a molecular weight of 148.20 g/mol, XLogP of 0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(methyl)amino]propan-1-olate is sourced from PubChem (CID 163742992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).