2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one

C14H17FO2 — CID 103396633

IUPAC2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one
SMILESCOc1ccc(C2CCCCCC2=O)c(F)c1
InChIInChI=1S/C14H17FO2/c1-17-10-7-8-11(13(15)9-10)12-5-3-2-4-6-14(12)16/h7-9,12H,2-6H2,1H3
InChIKeyIDHZGSKRPLAFRU-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.45
Rot. Bonds2

About 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one

2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one (PubChem CID 103396633) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one
PubChem CID103396633
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one
SMILESCOc1ccc(C2CCCCCC2=O)c(F)c1
InChIInChI=1S/C14H17FO2/c1-17-10-7-8-11(13(15)9-10)12-5-3-2-4-6-14(12)16/h7-9,12H,2-6H2,1H3
InChIKeyIDHZGSKRPLAFRU-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82781917
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2-(2-methoxyphenyl)cycloheptan-1-one
CID 44718991
(4R)-4-(2-fluoro-4-methoxyphenyl)-1,3-oxazolidin-2-one
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(5S)-1-fluoro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014491
(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
CID 171197142
5-(2-fluoro-4-methoxyphenyl)-4-hydroxyiminopiperidin-2-one
CID 151803941
2-(4-fluoro-3-methylphenyl)cyclohexan-1-one
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4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
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(2S)-2-[(3-methoxyphenyl)methyl]cyclohexan-1-one
CID 57106440

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one (CID 103396633) is 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one is COc1ccc(C2CCCCCC2=O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one?
The InChIKey is IDHZGSKRPLAFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-17-10-7-8-11(13(15)9-10)12-5-3-2-4-6-14(12)16/h7-9,12H,2-6H2,1H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one?
2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one has a molecular weight of 236.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one is sourced from PubChem (CID 103396633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).