1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one

C17H25ClFNO — CID 103048065

IUPAC1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one
SMILESCCN(CC)C(CC)(CC)C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H25ClFNO/c1-5-17(6-2,20(7-3)8-4)16(21)12-13-11-14(18)9-10-15(13)19/h9-11H,5-8,12H2,1-4H3
InChIKeyWOCASZVOAHOONJ-UHFFFAOYSA-N
MW313.84 g/mol
LogP4.49
Rot. Bonds8

About 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one

1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one (PubChem CID 103048065) has the molecular formula C17H25ClFNO and a molecular weight of 313.84 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one
PubChem CID103048065
Molecular FormulaC17H25ClFNO
Molecular Weight313.84 g/mol
Exact Mass313.16
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one
SMILESCCN(CC)C(CC)(CC)C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H25ClFNO/c1-5-17(6-2,20(7-3)8-4)16(21)12-13-11-14(18)9-10-15(13)19/h9-11H,5-8,12H2,1-4H3
InChIKeyWOCASZVOAHOONJ-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(N-tert-Butylamino)-3'-chlorooctanophenone
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CID 20695745
2-(N,N-Diethylamino)-3''-chloropropiophenone
CID 43227726
1-(3-Chlorophenyl)-2-(dimethylamino)ethan-1-one hydrochloride
CID 178200158
1-(3-Chloro-4-fluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 103039479
2-(3-Chloro-4-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethanone
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CID 103042575

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one (CID 103048065) is 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one is CCN(CC)C(CC)(CC)C(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one?
The InChIKey is WOCASZVOAHOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFNO/c1-5-17(6-2,20(7-3)8-4)16(21)12-13-11-14(18)9-10-15(13)19/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one?
1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one has a molecular weight of 313.84 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(diethylamino)-3-ethylpentan-2-one is sourced from PubChem (CID 103048065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).