(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one

C14H15F3O — CID 94603909

IUPAC(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
SMILESO=C1CCCCC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-8-5-4-6-10(12)11-7-2-1-3-9-13(11)18/h4-6,8,11H,1-3,7,9H2/t11-/m1/s1
InChIKeyYUIHJPYYFBBRIC-LLVKDONJSA-N
MW256.27 g/mol
LogP4.32
Rot. Bonds1

About (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one

(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one (PubChem CID 94603909) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one.

Molecular Properties

Compound Name(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
PubChem CID94603909
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one
SMILESO=C1CCCCC[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-8-5-4-6-10(12)11-7-2-1-3-9-13(11)18/h4-6,8,11H,1-3,7,9H2/t11-/m1/s1
InChIKeyYUIHJPYYFBBRIC-LLVKDONJSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one?
The IUPAC name of (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one (CID 94603909) is (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one.
What is the SMILES notation for (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one?
The canonical SMILES for (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one is O=C1CCCCC[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one?
The InChIKey is YUIHJPYYFBBRIC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15F3O/c15-14(16,17)12-8-5-4-6-10(12)11-7-2-1-3-9-13(11)18/h4-6,8,11H,1-3,7,9H2/t11-/m1/s1.
What are the key properties of (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one?
(2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one has a molecular weight of 256.27 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(trifluoromethyl)phenyl]cycloheptan-1-one is sourced from PubChem (CID 94603909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).