4-(3-fluoro-2-phenylbut-2-enyl)morpholine

C14H18FNO — CID 135044781

IUPAC4-(3-fluoro-2-phenylbut-2-enyl)morpholine
SMILESCC(F)=C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H18FNO/c1-12(15)14(13-5-3-2-4-6-13)11-16-7-9-17-10-8-16/h2-6H,7-11H2,1H3
InChIKeyDPRFAKAJKFSKKL-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.72
Rot. Bonds3

About 4-(3-fluoro-2-phenylbut-2-enyl)morpholine

4-(3-fluoro-2-phenylbut-2-enyl)morpholine (PubChem CID 135044781) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-(3-fluoro-2-phenylbut-2-enyl)morpholine.

Molecular Properties

Compound Name4-(3-fluoro-2-phenylbut-2-enyl)morpholine
PubChem CID135044781
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-(3-fluoro-2-phenylbut-2-enyl)morpholine
SMILESCC(F)=C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C14H18FNO/c1-12(15)14(13-5-3-2-4-6-13)11-16-7-9-17-10-8-16/h2-6H,7-11H2,1H3
InChIKeyDPRFAKAJKFSKKL-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-phenylbut-2-enyl)morpholine?
The IUPAC name of 4-(3-fluoro-2-phenylbut-2-enyl)morpholine (CID 135044781) is 4-(3-fluoro-2-phenylbut-2-enyl)morpholine.
What is the SMILES notation for 4-(3-fluoro-2-phenylbut-2-enyl)morpholine?
The canonical SMILES for 4-(3-fluoro-2-phenylbut-2-enyl)morpholine is CC(F)=C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(3-fluoro-2-phenylbut-2-enyl)morpholine?
The InChIKey is DPRFAKAJKFSKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-12(15)14(13-5-3-2-4-6-13)11-16-7-9-17-10-8-16/h2-6H,7-11H2,1H3.
What are the key properties of 4-(3-fluoro-2-phenylbut-2-enyl)morpholine?
4-(3-fluoro-2-phenylbut-2-enyl)morpholine has a molecular weight of 235.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-phenylbut-2-enyl)morpholine is sourced from PubChem (CID 135044781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).