3-fluoro-1-(4-methylphenyl)propan-1-one

C10H11FO — CID 89142724

IUPAC3-fluoro-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCF)cc1
InChIInChI=1S/C10H11FO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6-7H2,1H3
InChIKeyITNBAUHJJSKYMO-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.54
Rot. Bonds3

About 3-fluoro-1-(4-methylphenyl)propan-1-one

3-fluoro-1-(4-methylphenyl)propan-1-one (PubChem CID 89142724) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 3-fluoro-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-fluoro-1-(4-methylphenyl)propan-1-one
PubChem CID89142724
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name3-fluoro-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCF)cc1
InChIInChI=1S/C10H11FO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6-7H2,1H3
InChIKeyITNBAUHJJSKYMO-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-4,4-difluoro-1-(4-methylphenyl)butan-1-one
CID 102224011
1-(4-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 162409528
methane;4-(4-methylphenyl)-4-oxobutanal
CID 143644548
[3-(4-methylphenyl)-3-oxopropyl] 4-methylbenzoate
CID 157120542
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 174749229
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
2-[2-(4-methylphenyl)-2-oxoethyl]sulfonylethanethioamide
CID 82182418
12-(4-methylphenyl)-12-oxododecanal
CID 11300702
(2R)-2-methyl-5-(4-methylphenyl)-5-oxopentanal
CID 102367867
[3-(4-methylphenyl)-3-oxopropyl]-propan-2-ylazanium chloride
CID 139084674
4-(2-aminoethyl)-1-(4-methylphenyl)heptan-1-one
CID 116582789

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-fluoro-1-(4-methylphenyl)propan-1-one (CID 89142724) is 3-fluoro-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-fluoro-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-fluoro-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCF)cc1.
What is the InChIKey of 3-fluoro-1-(4-methylphenyl)propan-1-one?
The InChIKey is ITNBAUHJJSKYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6-7H2,1H3.
What are the key properties of 3-fluoro-1-(4-methylphenyl)propan-1-one?
3-fluoro-1-(4-methylphenyl)propan-1-one has a molecular weight of 166.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 89142724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).