1-(4-fluorophenyl)-4-methylheptan-2-one

C14H19FO — CID 62622075

IUPAC1-(4-fluorophenyl)-4-methylheptan-2-one
SMILESCCCC(C)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FO/c1-3-4-11(2)9-14(16)10-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyNMFYEPIGCGRSQD-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.76
Rot. Bonds6

About 1-(4-fluorophenyl)-4-methylheptan-2-one

1-(4-fluorophenyl)-4-methylheptan-2-one (PubChem CID 62622075) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methylheptan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methylheptan-2-one
PubChem CID62622075
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-(4-fluorophenyl)-4-methylheptan-2-one
SMILESCCCC(C)CC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FO/c1-3-4-11(2)9-14(16)10-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyNMFYEPIGCGRSQD-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-one
CID 66070133
1-butan-2-ylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802024
1-[butan-2-yl(ethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 43795966
5-amino-4-methyl-1-(4-methylphenyl)pentan-2-one
CID 116596617
1-(2,6-dichlorophenyl)-4-methylheptan-2-one
CID 63409402
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297
1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
3-(4-fluorophenyl)-3-(3-methylhexanoylamino)propanoic acid
CID 119169664
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
CID 110911200
1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
CID 116562482
1-ethylsulfanyl-3-(4-fluorophenyl)propan-2-one
CID 43802012
4-methyl-1-pyridin-2-ylheptan-2-one
CID 62620777

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methylheptan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-methylheptan-2-one (CID 62622075) is 1-(4-fluorophenyl)-4-methylheptan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methylheptan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-methylheptan-2-one is CCCC(C)CC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methylheptan-2-one?
The InChIKey is NMFYEPIGCGRSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-3-4-11(2)9-14(16)10-12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-methylheptan-2-one?
1-(4-fluorophenyl)-4-methylheptan-2-one has a molecular weight of 222.30 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methylheptan-2-one is sourced from PubChem (CID 62622075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).