(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone

C15H18F2O3 — CID 105097800

IUPAC(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(F)(F)CC2)c(OC)c1
InChIInChI=1S/C15H18F2O3/c1-19-11-3-4-12(13(9-11)20-2)14(18)10-5-7-15(16,17)8-6-10/h3-4,9-10H,5-8H2,1-2H3
InChIKeyKSEMMIOGJJDMLD-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.71
Rot. Bonds4

About (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone

(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 105097800) has the molecular formula C15H18F2O3 and a molecular weight of 284.30 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
PubChem CID105097800
Molecular FormulaC15H18F2O3
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(F)(F)CC2)c(OC)c1
InChIInChI=1S/C15H18F2O3/c1-19-11-3-4-12(13(9-11)20-2)14(18)10-5-7-15(16,17)8-6-10/h3-4,9-10H,5-8H2,1-2H3
InChIKeyKSEMMIOGJJDMLD-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone
CID 114215602
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
CID 114215515
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone (CID 105097800) is (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)C2CCC(F)(F)CC2)c(OC)c1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is KSEMMIOGJJDMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O3/c1-19-11-3-4-12(13(9-11)20-2)14(18)10-5-7-15(16,17)8-6-10/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone?
(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 284.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 105097800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).