(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine

C14H16FN3O — CID 164632113

IUPAC(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine
SMILESFCC[C@H]1CN(c2nncc3ccccc23)CCO1
InChIInChI=1S/C14H16FN3O/c15-6-5-12-10-18(7-8-19-12)14-13-4-2-1-3-11(13)9-16-17-14/h1-4,9,12H,5-8,10H2/t12-/m0/s1
InChIKeyFGRWMVGMWAVRDA-LBPRGKRZSA-N
MW261.30 g/mol
LogP2.19
Rot. Bonds3

About (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine

(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine (PubChem CID 164632113) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine
PubChem CID164632113
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine
SMILESFCC[C@H]1CN(c2nncc3ccccc23)CCO1
InChIInChI=1S/C14H16FN3O/c15-6-5-12-10-18(7-8-19-12)14-13-4-2-1-3-11(13)9-16-17-14/h1-4,9,12H,5-8,10H2/t12-/m0/s1
InChIKeyFGRWMVGMWAVRDA-LBPRGKRZSA-N
XLogP2.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid
CID 66435195
2-(1-phthalazin-1-ylpiperidin-4-yl)ethanamine
CID 62587804
2-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 114799546
(2S)-2-(2-fluoroethyl)-4-(4-phenyl-1,3,5-triazin-2-yl)morpholine
CID 164637809
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
1-(4-chloropiperidin-1-yl)phthalazine
CID 63388772
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
CID 62141546
3-(1-phthalazin-1-ylpiperidin-4-yl)propanoic acid
CID 62216981
(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride
CID 140971986
1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 112627869
1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
CID 97329750
(3S,4S)-4-methyl-1-phthalazin-1-ylpyrrolidine-3-carboxylic acid
CID 114085555

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine?
The IUPAC name of (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine (CID 164632113) is (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine.
What is the SMILES notation for (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine?
The canonical SMILES for (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine is FCC[C@H]1CN(c2nncc3ccccc23)CCO1.
What is the InChIKey of (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine?
The InChIKey is FGRWMVGMWAVRDA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-6-5-12-10-18(7-8-19-12)14-13-4-2-1-3-11(13)9-16-17-14/h1-4,9,12H,5-8,10H2/t12-/m0/s1.
What are the key properties of (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine?
(2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine has a molecular weight of 261.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoroethyl)-4-phthalazin-1-ylmorpholine is sourced from PubChem (CID 164632113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).