4-fluoro-4-propan-2-ylcyclohexan-1-one

C9H15FO — CID 155319933

IUPAC4-fluoro-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1(F)CCC(=O)CC1
InChIInChI=1S/C9H15FO/c1-7(2)9(10)5-3-8(11)4-6-9/h7H,3-6H2,1-2H3
InChIKeyYWJHWDFMWCOHDX-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.49
Rot. Bonds1

About 4-fluoro-4-propan-2-ylcyclohexan-1-one

4-fluoro-4-propan-2-ylcyclohexan-1-one (PubChem CID 155319933) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 4-fluoro-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-fluoro-4-propan-2-ylcyclohexan-1-one
PubChem CID155319933
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name4-fluoro-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1(F)CCC(=O)CC1
InChIInChI=1S/C9H15FO/c1-7(2)9(10)5-3-8(11)4-6-9/h7H,3-6H2,1-2H3
InChIKeyYWJHWDFMWCOHDX-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 4-fluoro-4-propan-2-ylcyclohexan-1-one (CID 155319933) is 4-fluoro-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 4-fluoro-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 4-fluoro-4-propan-2-ylcyclohexan-1-one is CC(C)C1(F)CCC(=O)CC1.
What is the InChIKey of 4-fluoro-4-propan-2-ylcyclohexan-1-one?
The InChIKey is YWJHWDFMWCOHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-7(2)9(10)5-3-8(11)4-6-9/h7H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-4-propan-2-ylcyclohexan-1-one?
4-fluoro-4-propan-2-ylcyclohexan-1-one has a molecular weight of 158.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 155319933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).