1-[3-(1-fluoroethyl)phenyl]propan-2-one

C11H13FO — CID 84657401

IUPAC1-[3-(1-fluoroethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C(C)F)c1
InChIInChI=1S/C11H13FO/c1-8(13)6-10-4-3-5-11(7-10)9(2)12/h3-5,7,9H,6H2,1-2H3
InChIKeyISRQBOGRIPBSEZ-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.85
Rot. Bonds3

About 1-[3-(1-fluoroethyl)phenyl]propan-2-one

1-[3-(1-fluoroethyl)phenyl]propan-2-one (PubChem CID 84657401) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-[3-(1-fluoroethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-(1-fluoroethyl)phenyl]propan-2-one
PubChem CID84657401
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-[3-(1-fluoroethyl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(C(C)F)c1
InChIInChI=1S/C11H13FO/c1-8(13)6-10-4-3-5-11(7-10)9(2)12/h3-5,7,9H,6H2,1-2H3
InChIKeyISRQBOGRIPBSEZ-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethyl)phenyl]propan-2-one;fluoromethane
CID 142914280
2-[3-(1-fluoroethyl)phenyl]acetonitrile
CID 84764629
1-bromo-3-[3-(difluoromethyl)phenyl]propan-2-one
CID 134616468
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-(3-phosphanylphenyl)propan-2-one
CID 142179381
1-[3-bromo-4-(1-fluoroethyl)phenyl]propan-2-one
CID 84709740
ethyl 3,4-dihydroxy-4-[3-(2-oxopropyl)phenyl]butanoate
CID 171897723
4-(3-propan-2-ylphenyl)butan-2-one
CID 129128469
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
2-[3-(3-methylbutan-2-yl)phenyl]acetic acid
CID 115024785

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-fluoroethyl)phenyl]propan-2-one?
The IUPAC name of 1-[3-(1-fluoroethyl)phenyl]propan-2-one (CID 84657401) is 1-[3-(1-fluoroethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-(1-fluoroethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-(1-fluoroethyl)phenyl]propan-2-one is CC(=O)Cc1cccc(C(C)F)c1.
What is the InChIKey of 1-[3-(1-fluoroethyl)phenyl]propan-2-one?
The InChIKey is ISRQBOGRIPBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-8(13)6-10-4-3-5-11(7-10)9(2)12/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 1-[3-(1-fluoroethyl)phenyl]propan-2-one?
1-[3-(1-fluoroethyl)phenyl]propan-2-one has a molecular weight of 180.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-fluoroethyl)phenyl]propan-2-one is sourced from PubChem (CID 84657401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).