3-fluoro-4-propan-2-ylmorpholine

C7H14FNO — CID 141026156

IUPAC3-fluoro-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1F
InChIInChI=1S/C7H14FNO/c1-6(2)9-3-4-10-5-7(9)8/h6-7H,3-5H2,1-2H3
InChIKeyDMJHBYNODVGOTH-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.02
Rot. Bonds1

About 3-fluoro-4-propan-2-ylmorpholine

3-fluoro-4-propan-2-ylmorpholine (PubChem CID 141026156) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name3-fluoro-4-propan-2-ylmorpholine
PubChem CID141026156
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-fluoro-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1F
InChIInChI=1S/C7H14FNO/c1-6(2)9-3-4-10-5-7(9)8/h6-7H,3-5H2,1-2H3
InChIKeyDMJHBYNODVGOTH-UHFFFAOYSA-N
XLogP1.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine
CID 170395552
3-(2-methylpropyl)-4-propan-2-ylmorpholine
CID 58279606
8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane
CID 159627885
2-fluoro-1-propan-2-ylaziridine
CID 166046401
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
2-fluoro-1,3-di(propan-2-yl)imidazolidine
CID 70243177
3,4-di(propan-2-yl)-1,4-oxazepane
CID 123714088
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
CID 125457640
(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087
3-methyl-4-pentan-2-ylmorpholine
CID 130660502
fluoromethane;4-propan-2-ylmorpholine
CID 177187231

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-ylmorpholine?
The IUPAC name of 3-fluoro-4-propan-2-ylmorpholine (CID 141026156) is 3-fluoro-4-propan-2-ylmorpholine.
What is the SMILES notation for 3-fluoro-4-propan-2-ylmorpholine?
The canonical SMILES for 3-fluoro-4-propan-2-ylmorpholine is CC(C)N1CCOCC1F.
What is the InChIKey of 3-fluoro-4-propan-2-ylmorpholine?
The InChIKey is DMJHBYNODVGOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(2)9-3-4-10-5-7(9)8/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-4-propan-2-ylmorpholine?
3-fluoro-4-propan-2-ylmorpholine has a molecular weight of 147.19 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-ylmorpholine is sourced from PubChem (CID 141026156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).