3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene

C11H11F3O — CID 14469488

IUPAC3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene
SMILESC=C(COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F3O/c1-9(7-15-8-11(12,13)14)10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChIKeyHRCQFEDWZFPURK-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.28
Rot. Bonds4

About 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene

3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene (PubChem CID 14469488) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene
PubChem CID14469488
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene
SMILESC=C(COCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H11F3O/c1-9(7-15-8-11(12,13)14)10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChIKeyHRCQFEDWZFPURK-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane
CID 14341019
3-(6-bromohexoxy)prop-1-en-2-ylbenzene
CID 70184291
CID 136722619
CID 136722619
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799454
3-pentoxyprop-1-en-2-ylbenzene
CID 174460660
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
3-(trifluoromethylsulfonyl)prop-1-en-2-ylbenzene
CID 11747046
N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915357
1,1,1-trifluoro-8-phenylnon-8-en-2-one
CID 14435912
2-(2,2-difluoro-2-phenylethoxy)acetic acid
CID 61328007
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
dimethyl 2-phenylprop-2-enyl phosphite
CID 54208856

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene (CID 14469488) is 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene is C=C(COCC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene?
The InChIKey is HRCQFEDWZFPURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-9(7-15-8-11(12,13)14)10-5-3-2-4-6-10/h2-6H,1,7-8H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene?
3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene has a molecular weight of 216.20 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene is sourced from PubChem (CID 14469488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).