3-fluoro-4-morpholin-4-ylbutanoic acid

C8H14FNO3 — CID 105444766

IUPAC3-fluoro-4-morpholin-4-ylbutanoic acid
SMILESO=C(O)CC(F)CN1CCOCC1
InChIInChI=1S/C8H14FNO3/c9-7(5-8(11)12)6-10-1-3-13-4-2-10/h7H,1-6H2,(H,11,12)
InChIKeyZFMALEWPIYDICO-UHFFFAOYSA-N
MW191.20 g/mol
LogP0.13
Rot. Bonds4

About 3-fluoro-4-morpholin-4-ylbutanoic acid

3-fluoro-4-morpholin-4-ylbutanoic acid (PubChem CID 105444766) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 3-fluoro-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name3-fluoro-4-morpholin-4-ylbutanoic acid
PubChem CID105444766
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name3-fluoro-4-morpholin-4-ylbutanoic acid
SMILESO=C(O)CC(F)CN1CCOCC1
InChIInChI=1S/C8H14FNO3/c9-7(5-8(11)12)6-10-1-3-13-4-2-10/h7H,1-6H2,(H,11,12)
InChIKeyZFMALEWPIYDICO-UHFFFAOYSA-N
XLogP0.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholinebutanoic acid
CID 79872
4-Morpholin-4-Yl-Butyric Acid Hydrochloride
CID 12733746
2,2-Difluoro-4-(morpholin-4-yl)butanoic acid hydrochloride
CID 167725358
a-Morpholinomethylhexafluoroisobutyric acid
CID 129805206
Methyl 4-morpholinobutanoate
CID 44858
4-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanoic acid
CID 61601678
4-[Methyl-[2-(trifluoromethoxy)ethyl]amino]butanoic acid
CID 65804575
2-[4-(2,2,2-Trifluoroethyl)morpholin-2-yl]acetic acid
CID 66433129
2-[4-[2-(Trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid
CID 66433686
2-[4-(2,2-Difluoroethyl)morpholin-2-yl]acetic acid
CID 66433888
2-[4-(3,3,3-Trifluoropropyl)morpholin-2-yl]acetic acid
CID 66434481
2-[4-(2-Fluoroethyl)morpholin-2-yl]acetic acid
CID 80694629

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 3-fluoro-4-morpholin-4-ylbutanoic acid (CID 105444766) is 3-fluoro-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 3-fluoro-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 3-fluoro-4-morpholin-4-ylbutanoic acid is O=C(O)CC(F)CN1CCOCC1.
What is the InChIKey of 3-fluoro-4-morpholin-4-ylbutanoic acid?
The InChIKey is ZFMALEWPIYDICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c9-7(5-8(11)12)6-10-1-3-13-4-2-10/h7H,1-6H2,(H,11,12).
What are the key properties of 3-fluoro-4-morpholin-4-ylbutanoic acid?
3-fluoro-4-morpholin-4-ylbutanoic acid has a molecular weight of 191.20 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 105444766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).