(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone

C14H16F2O3 — CID 114215602

IUPAC(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(F)(F)C2)c(OC)c1
InChIInChI=1S/C14H16F2O3/c1-18-10-3-4-11(12(7-10)19-2)13(17)9-5-6-14(15,16)8-9/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyNFZZYMHKJMICFO-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.32
Rot. Bonds4

About (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone

(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 114215602) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone
PubChem CID114215602
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(F)(F)C2)c(OC)c1
InChIInChI=1S/C14H16F2O3/c1-18-10-3-4-11(12(7-10)19-2)13(17)9-5-6-14(15,16)8-9/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyNFZZYMHKJMICFO-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
CID 114215515
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814029
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
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
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone (CID 114215602) is (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)C2CCC(F)(F)C2)c(OC)c1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is NFZZYMHKJMICFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-18-10-3-4-11(12(7-10)19-2)13(17)9-5-6-14(15,16)8-9/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone?
(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 270.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 114215602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).