(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one

C11H11F3O2 — CID 6934258

IUPAC(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
SMILESCC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-7(15)8(2)16-10-5-3-4-9(6-10)11(12,13)14/h3-6,8H,1-2H3/t8-/m1/s1
InChIKeyRUTXCSFBVGGQFH-MRVPVSSYSA-N
MW232.20 g/mol
LogP3.06
Rot. Bonds3

About (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one

(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one (PubChem CID 6934258) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one.

Molecular Properties

Compound Name(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
PubChem CID6934258
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
SMILESCC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-7(15)8(2)16-10-5-3-4-9(6-10)11(12,13)14/h3-6,8H,1-2H3/t8-/m1/s1
InChIKeyRUTXCSFBVGGQFH-MRVPVSSYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
tert-butyl 2-[3-(trifluoromethyl)phenoxy]propanoate
CID 66339372
(3S)-3-[3-chloro-5-(trifluoromethyl)phenoxy]butan-2-one
CID 159441431
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 40636207
[3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate
CID 72524575
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
1-[5-[1-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-1-yl]ethanone
CID 2764698

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one?
The IUPAC name of (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one (CID 6934258) is (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one.
What is the SMILES notation for (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one?
The canonical SMILES for (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one is CC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one?
The InChIKey is RUTXCSFBVGGQFH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-7(15)8(2)16-10-5-3-4-9(6-10)11(12,13)14/h3-6,8H,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one?
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one has a molecular weight of 232.20 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one is sourced from PubChem (CID 6934258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).