2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone

C13H14ClFO2 — CID 103447949

IUPAC2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1(O)CCCC1
InChIInChI=1S/C13H14ClFO2/c14-10-5-3-4-9(12(10)15)8-11(16)13(17)6-1-2-7-13/h3-5,17H,1-2,6-8H2
InChIKeyMCJPMUJFHRGQJA-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.90
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone (PubChem CID 103447949) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
PubChem CID103447949
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1(O)CCCC1
InChIInChI=1S/C13H14ClFO2/c14-10-5-3-4-9(12(10)15)8-11(16)13(17)6-1-2-7-13/h3-5,17H,1-2,6-8H2
InChIKeyMCJPMUJFHRGQJA-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865265
2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 102857313
2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450231
2-(2-bromo-3-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447641
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
CID 102857061
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
4-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxycyclohexan-1-one
CID 102856928

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone (CID 103447949) is 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone is O=C(Cc1cccc(Cl)c1F)C1(O)CCCC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone?
The InChIKey is MCJPMUJFHRGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c14-10-5-3-4-9(12(10)15)8-11(16)13(17)6-1-2-7-13/h3-5,17H,1-2,6-8H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone has a molecular weight of 256.70 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 103447949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).