2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone

C19H30FNO2 — CID 170896252

IUPAC2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone
SMILESCCCCCCCCCOc1ccc(C(=O)CN(C)C)c(F)c1
InChIInChI=1S/C19H30FNO2/c1-4-5-6-7-8-9-10-13-23-16-11-12-17(18(20)14-16)19(22)15-21(2)3/h11-12,14H,4-10,13,15H2,1-3H3
InChIKeyIUSBYYXTLAIDSJ-UHFFFAOYSA-N
MW323.45 g/mol
LogP4.70
Rot. Bonds12

About 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone

2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone (PubChem CID 170896252) has the molecular formula C19H30FNO2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone
PubChem CID170896252
Molecular FormulaC19H30FNO2
Molecular Weight323.45 g/mol
Exact Mass323.23
IUPAC Name2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone
SMILESCCCCCCCCCOc1ccc(C(=O)CN(C)C)c(F)c1
InChIInChI=1S/C19H30FNO2/c1-4-5-6-7-8-9-10-13-23-16-11-12-17(18(20)14-16)19(22)15-21(2)3/h11-12,14H,4-10,13,15H2,1-3H3
InChIKeyIUSBYYXTLAIDSJ-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoro-4-nonoxyphenyl)-3-oxopropanoic acid
CID 170887023
methyl 2-fluoro-4-octoxybenzoate
CID 59683755
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
4-butoxy-2-fluorobenzoate
CID 7015592
(E)-4-(2-fluoro-4-octoxyphenyl)-4-oxobut-2-enoic acid
CID 121005743
2-fluoro-4-(4-nonoxyphenyl)benzoic acid
CID 56621953
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
3-(4-dodecoxy-2-fluorophenyl)prop-2-ynoic acid
CID 23354709
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 165354806
(2-fluoro-4-nonoxyphenyl)boronic acid
CID 23005431
4-decoxy-2-hexoxybenzoic acid
CID 141156533

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone (CID 170896252) is 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone is CCCCCCCCCOc1ccc(C(=O)CN(C)C)c(F)c1.
What is the InChIKey of 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone?
The InChIKey is IUSBYYXTLAIDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO2/c1-4-5-6-7-8-9-10-13-23-16-11-12-17(18(20)14-16)19(22)15-21(2)3/h11-12,14H,4-10,13,15H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone?
2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone has a molecular weight of 323.45 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone is sourced from PubChem (CID 170896252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).