4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine

C13H14F3NO — CID 139093838

IUPAC4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine
SMILESFC(F)(F)/C=C\c1ccccc1N1CCOCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)6-5-11-3-1-2-4-12(11)17-7-9-18-10-8-17/h1-6H,7-10H2/b6-5-
InChIKeyPBRYIZDQNHVYBY-WAYWQWQTSA-N
MW257.25 g/mol
LogP3.10
Rot. Bonds2

About 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine

4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine (PubChem CID 139093838) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine
PubChem CID139093838
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine
SMILESFC(F)(F)/C=C\c1ccccc1N1CCOCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)6-5-11-3-1-2-4-12(11)17-7-9-18-10-8-17/h1-6H,7-10H2/b6-5-
InChIKeyPBRYIZDQNHVYBY-WAYWQWQTSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenylmorpholine
CID 62339
N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
4-(Morpholinomethyl)aniline
CID 776851
2,2'-((2-Methylphenyl)imino)bisethanol
CID 96723
4-Morpholinobenzonitrile
CID 394808
4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
(4-Morpholin-4-ylbenzylidene)malononitrile
CID 321779
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
2-Fluoro-6-morpholinobenzonitrile
CID 654627
1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-, hydrochloride (1:1)
CID 3041684

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine?
The IUPAC name of 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine (CID 139093838) is 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine.
What is the SMILES notation for 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine?
The canonical SMILES for 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine is FC(F)(F)/C=C\c1ccccc1N1CCOCC1.
What is the InChIKey of 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine?
The InChIKey is PBRYIZDQNHVYBY-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)6-5-11-3-1-2-4-12(11)17-7-9-18-10-8-17/h1-6H,7-10H2/b6-5-.
What are the key properties of 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine?
4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine has a molecular weight of 257.25 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-3,3,3-trifluoroprop-1-enyl]phenyl]morpholine is sourced from PubChem (CID 139093838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).