1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one

C14H18F2O2 — CID 103024499

IUPAC1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one
SMILESCOC(C)(C)CCC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C14H18F2O2/c1-14(2,18-3)8-7-10(17)9-11-12(15)5-4-6-13(11)16/h4-6H,7-9H2,1-3H3
InChIKeyGHZZHTHQTQNFOT-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.28
Rot. Bonds6

About 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one

1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one (PubChem CID 103024499) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one
PubChem CID103024499
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one
SMILESCOC(C)(C)CCC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C14H18F2O2/c1-14(2,18-3)8-7-10(17)9-11-12(15)5-4-6-13(11)16/h4-6H,7-9H2,1-3H3
InChIKeyGHZZHTHQTQNFOT-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-5-methoxy-5-methylhexan-2-one
CID 103024454
1-(2,6-difluorophenyl)-5-methylhex-5-en-2-one
CID 115802901
5-chloro-1-(2,6-difluorophenyl)pentan-2-one
CID 114931358
6-amino-1-(2,6-difluorophenyl)hexan-2-one
CID 114935403
1-(2,6-difluorophenyl)-3-ethoxypropan-2-one
CID 114931357
1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-one
CID 103035349
1-(2-chloro-6-fluorophenyl)-5-methoxypentan-2-one
CID 63023516
1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
CID 103035375
2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975625
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
methyl 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-methylpropanoate
CID 106487932
1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024596

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one (CID 103024499) is 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one is COC(C)(C)CCC(=O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one?
The InChIKey is GHZZHTHQTQNFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-14(2,18-3)8-7-10(17)9-11-12(15)5-4-6-13(11)16/h4-6H,7-9H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one?
1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one has a molecular weight of 256.29 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one is sourced from PubChem (CID 103024499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).