1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one

C14H17F3O2 — CID 82955506

IUPAC1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
SMILESCCc1ccc(C(=O)C(C)OCCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3O2/c1-3-11-4-6-12(7-5-11)13(18)10(2)19-9-8-14(15,16)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyWHTWRZSFXVEXIP-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.79
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one

1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one (PubChem CID 82955506) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
PubChem CID82955506
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
SMILESCCc1ccc(C(=O)C(C)OCCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3O2/c1-3-11-4-6-12(7-5-11)13(18)10(2)19-9-8-14(15,16)17/h4-7,10H,3,8-9H2,1-2H3
InChIKeyWHTWRZSFXVEXIP-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82954338
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
CID 82006429
4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7752998
2-(cyclopentylmethoxy)-1-(4-ethylphenyl)propan-1-one
CID 66322866
1-(4-ethylphenyl)-2-methylsulfonylpropan-1-one
CID 62784024
1-(4-ethylphenyl)-2-ethylsulfinylpropan-1-one
CID 64639873
1-(3-chlorophenyl)-2-(4,4,4-trifluorobutoxy)propan-1-one
CID 82787950
1-(4-ethylphenyl)-2,2-dipropoxyethanone
CID 14761625
(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one (CID 82955506) is 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one is CCc1ccc(C(=O)C(C)OCCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one?
The InChIKey is WHTWRZSFXVEXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-3-11-4-6-12(7-5-11)13(18)10(2)19-9-8-14(15,16)17/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one?
1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one has a molecular weight of 274.28 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one is sourced from PubChem (CID 82955506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).