3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine

C14H17ClFNO — CID 102621780

IUPAC3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine
SMILESC/C(=C/c1cc(F)ccc1Cl)CC1COCCN1
InChIInChI=1S/C14H17ClFNO/c1-10(7-13-9-18-5-4-17-13)6-11-8-12(16)2-3-14(11)15/h2-3,6,8,13,17H,4-5,7,9H2,1H3/b10-6-
InChIKeyWSAQYZZHSCDZNI-POHAHGRESA-N
MW269.75 g/mol
LogP3.26
Rot. Bonds3

About 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine

3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine (PubChem CID 102621780) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine.

Molecular Properties

Compound Name3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine
PubChem CID102621780
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine
SMILESC/C(=C/c1cc(F)ccc1Cl)CC1COCCN1
InChIInChI=1S/C14H17ClFNO/c1-10(7-13-9-18-5-4-17-13)6-11-8-12(16)2-3-14(11)15/h2-3,6,8,13,17H,4-5,7,9H2,1H3/b10-6-
InChIKeyWSAQYZZHSCDZNI-POHAHGRESA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Z)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462313
3-[(Z)-3-(4-fluoro-2-methylphenyl)-2-methylprop-2-enyl]morpholine
CID 114350103
3-[(Z)-3-(3,4-dichlorophenyl)-2-methylprop-2-enyl]morpholine
CID 113462311
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
CID 116595683
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-3-ylacetamide
CID 81349518
3-methyl-1-morpholin-3-ylbut-3-en-2-one
CID 116595710
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanol
CID 81467090
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
3-[(Z)-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylprop-2-enyl]morpholine
CID 113462294
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine?
The IUPAC name of 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine (CID 102621780) is 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine.
What is the SMILES notation for 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine?
The canonical SMILES for 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine is C/C(=C/c1cc(F)ccc1Cl)CC1COCCN1.
What is the InChIKey of 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine?
The InChIKey is WSAQYZZHSCDZNI-POHAHGRESA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-10(7-13-9-18-5-4-17-13)6-11-8-12(16)2-3-14(11)15/h2-3,6,8,13,17H,4-5,7,9H2,1H3/b10-6-.
What are the key properties of 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine?
3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine has a molecular weight of 269.75 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-(2-chloro-5-fluorophenyl)-2-methylprop-2-enyl]morpholine is sourced from PubChem (CID 102621780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).