7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one

C15H21ClFNO — CID 116578115

IUPAC7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H21ClFNO/c1-2-11(8-9-18)6-7-12(19)10-13-14(16)4-3-5-15(13)17/h3-5,11H,2,6-10,18H2,1H3
InChIKeyFZXYZFXXOJXNBP-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.75
Rot. Bonds8

About 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one

7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one (PubChem CID 116578115) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one
PubChem CID116578115
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H21ClFNO/c1-2-11(8-9-18)6-7-12(19)10-13-14(16)4-3-5-15(13)17/h3-5,11H,2,6-10,18H2,1H3
InChIKeyFZXYZFXXOJXNBP-UHFFFAOYSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one
CID 116578233
5-amino-1-(2-chloro-6-fluorophenyl)-4-methylpentan-2-one
CID 116596491
7-amino-1-(2-chloro-6-fluorophenyl)heptan-2-one
CID 116549930
5-(2-aminoethyl)-1-(2-chloro-3-fluorophenyl)octan-2-one
CID 116582948
1-(2-chloro-6-fluorophenyl)-5-methylhex-5-en-2-one
CID 114473539
1-(2-chloro-6-fluorophenyl)-4-(dimethylamino)butan-2-one
CID 115345698
1-(2-chloro-6-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
CID 116556368
5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one
CID 116582920
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
1-(2-chloro-6-fluorophenyl)-5-methoxypentan-2-one
CID 63023516
1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
CID 103451311

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one?
The IUPAC name of 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one (CID 116578115) is 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one.
What is the SMILES notation for 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one?
The canonical SMILES for 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one is CCC(CCN)CCC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one?
The InChIKey is FZXYZFXXOJXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-11(8-9-18)6-7-12(19)10-13-14(16)4-3-5-15(13)17/h3-5,11H,2,6-10,18H2,1H3.
What are the key properties of 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one?
7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one has a molecular weight of 285.79 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one is sourced from PubChem (CID 116578115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).