[(3R)-3-fluorobutyl] propanoate

C7H13FO2 — CID 163735225

IUPAC[(3R)-3-fluorobutyl] propanoate
SMILESCCC(=O)OCC[C@@H](C)F
InChIInChI=1S/C7H13FO2/c1-3-7(9)10-5-4-6(2)8/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyLDAAZEGSUMRWJC-ZCFIWIBFSA-N
MW148.18 g/mol
LogP1.69
Rot. Bonds4

About [(3R)-3-fluorobutyl] propanoate

[(3R)-3-fluorobutyl] propanoate (PubChem CID 163735225) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is [(3R)-3-fluorobutyl] propanoate.

Molecular Properties

Compound Name[(3R)-3-fluorobutyl] propanoate
PubChem CID163735225
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name[(3R)-3-fluorobutyl] propanoate
SMILESCCC(=O)OCC[C@@H](C)F
InChIInChI=1S/C7H13FO2/c1-3-7(9)10-5-4-6(2)8/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyLDAAZEGSUMRWJC-ZCFIWIBFSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-methoxybutyl] propanoate
CID 102330926
3-carbonochloridoyloxybutyl propanoate
CID 154944662
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
3-formylhexyl propanoate
CID 123908121
[(4E)-3,6-dimethylocta-4,7-dienyl] propanoate
CID 101283434
2-tellanylethyl propanoate
CID 174440561
2-aminoethyl propanoate;zinc
CID 175266115
butane-2,3-diol;pentyl propanoate
CID 21327819
3-methylbutyl propanoate;(4-methyl-2-propanoyloxypentyl) propanoate
CID 162076358
3-(2-oxoethyl)hexyl propanoate
CID 88531012
O-(3-fluorobutyl)hydroxylamine
CID 84762028

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluorobutyl] propanoate?
The IUPAC name of [(3R)-3-fluorobutyl] propanoate (CID 163735225) is [(3R)-3-fluorobutyl] propanoate.
What is the SMILES notation for [(3R)-3-fluorobutyl] propanoate?
The canonical SMILES for [(3R)-3-fluorobutyl] propanoate is CCC(=O)OCC[C@@H](C)F.
What is the InChIKey of [(3R)-3-fluorobutyl] propanoate?
The InChIKey is LDAAZEGSUMRWJC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13FO2/c1-3-7(9)10-5-4-6(2)8/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of [(3R)-3-fluorobutyl] propanoate?
[(3R)-3-fluorobutyl] propanoate has a molecular weight of 148.18 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluorobutyl] propanoate is sourced from PubChem (CID 163735225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).