4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one

C16H17FOS — CID 64757946

IUPAC4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one
SMILESCC(C)(C(=O)CCc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FOS/c1-16(2,13-4-6-14(17)7-5-13)15(18)8-3-12-9-10-19-11-12/h4-7,9-11H,3,8H2,1-2H3
InChIKeyMPHMKHISMARTDI-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.37
Rot. Bonds5

About 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one

4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one (PubChem CID 64757946) has the molecular formula C16H17FOS and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one
PubChem CID64757946
Molecular FormulaC16H17FOS
Molecular Weight276.38 g/mol
Exact Mass276.10
IUPAC Name4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one
SMILESCC(C)(C(=O)CCc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FOS/c1-16(2,13-4-6-14(17)7-5-13)15(18)8-3-12-9-10-19-11-12/h4-7,9-11H,3,8H2,1-2H3
InChIKeyMPHMKHISMARTDI-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-methyloctan-3-one
CID 64759949
4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one
CID 79061299
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
2-(4-fluorophenoxy)-N'-(3-thiophen-3-ylpropanoyl)propanehydrazide
CID 43017930
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 8959363
N-[2-(tert-butylamino)-2-oxoethyl]-3-thiophen-3-ylpropanamide
CID 18118510
1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65402918
1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 114972180
1-(4-methylpyrrolidin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 116572594
2-thiophen-3-ylethyl 2-bromo-2-methylpropanoate
CID 86077032
5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide
CID 30505197
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one
CID 14399209

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one (CID 64757946) is 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one is CC(C)(C(=O)CCc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one?
The InChIKey is MPHMKHISMARTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FOS/c1-16(2,13-4-6-14(17)7-5-13)15(18)8-3-12-9-10-19-11-12/h4-7,9-11H,3,8H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one?
4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one has a molecular weight of 276.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one is sourced from PubChem (CID 64757946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).