(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone

C16H13F3O2 — CID 79757463

IUPAC(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F3O2/c1-9(2)21-11-5-3-10(4-6-11)16(20)12-7-8-13(17)15(19)14(12)18/h3-9H,1-2H3
InChIKeyAZMWZMNNSYYLKF-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.12
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone

(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 79757463) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID79757463
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F3O2/c1-9(2)21-11-5-3-10(4-6-11)16(20)12-7-8-13(17)15(19)14(12)18/h3-9H,1-2H3
InChIKeyAZMWZMNNSYYLKF-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715
(4-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 112694186
(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963924
fluoro 4-propan-2-yloxybenzoate
CID 174701102
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
(2S)-2-(4-benzoylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7717807

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone (CID 79757463) is (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone is CC(C)Oc1ccc(C(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is AZMWZMNNSYYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-9(2)21-11-5-3-10(4-6-11)16(20)12-7-8-13(17)15(19)14(12)18/h3-9H,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone?
(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 294.27 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 79757463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).