(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one

C15H17FO2 — CID 97032911

IUPAC(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
SMILESO=C(C[C@H]1CCCCCC1=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FO2/c16-13-8-6-11(7-9-13)15(18)10-12-4-2-1-3-5-14(12)17/h6-9,12H,1-5,10H2/t12-/m1/s1
InChIKeyLHCCIACERGLSIE-GFCCVEGCSA-N
MW248.30 g/mol
LogP3.55
Rot. Bonds3

About (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one

(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one (PubChem CID 97032911) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one.

Molecular Properties

Compound Name(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
PubChem CID97032911
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
SMILESO=C(C[C@H]1CCCCCC1=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FO2/c16-13-8-6-11(7-9-13)15(18)10-12-4-2-1-3-5-14(12)17/h6-9,12H,1-5,10H2/t12-/m1/s1
InChIKeyLHCCIACERGLSIE-GFCCVEGCSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopentan-1-one
CID 97032971
2-[2-(4-methylsulfonylphenyl)-2-oxoethyl]cyclohexan-1-one
CID 57046884
2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381767
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one
CID 145128278
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
4-tert-butyl-2-[2-(4-fluorophenyl)-2-oxoethyl]cyclohexan-1-one
CID 83290485
2-(3-oxo-3-phenylpropyl)cycloheptan-1-one
CID 10824211
2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one
CID 86191576
2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 2751330
(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 712460
2-(2-oxocyclohexyl)acetate
CID 21196476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one?
The IUPAC name of (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one (CID 97032911) is (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one.
What is the SMILES notation for (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one?
The canonical SMILES for (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one is O=C(C[C@H]1CCCCCC1=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one?
The InChIKey is LHCCIACERGLSIE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FO2/c16-13-8-6-11(7-9-13)15(18)10-12-4-2-1-3-5-14(12)17/h6-9,12H,1-5,10H2/t12-/m1/s1.
What are the key properties of (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one?
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one has a molecular weight of 248.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one is sourced from PubChem (CID 97032911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).