2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid

C19H24F2O3 — CID 170757322

IUPAC2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCCOCc1cccc(C2CCC(F)(F)CC2)c1C1CC1C(=O)O
InChIInChI=1S/C19H24F2O3/c1-2-24-11-13-4-3-5-14(12-6-8-19(20,21)9-7-12)17(13)15-10-16(15)18(22)23/h3-5,12,15-16H,2,6-11H2,1H3,(H,22,23)
InChIKeyKLPXXJSNLCLFLC-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.70
Rot. Bonds6

About 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid

2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 170757322) has the molecular formula C19H24F2O3 and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID170757322
Molecular FormulaC19H24F2O3
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESCCOCc1cccc(C2CCC(F)(F)CC2)c1C1CC1C(=O)O
InChIInChI=1S/C19H24F2O3/c1-2-24-11-13-4-3-5-14(12-6-8-19(20,21)9-7-12)17(13)15-10-16(15)18(22)23/h3-5,12,15-16H,2,6-11H2,1H3,(H,22,23)
InChIKeyKLPXXJSNLCLFLC-UHFFFAOYSA-N
XLogP4.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide
CID 170756957
ethyl 2-[2-(4,4-difluorocyclohexyl)-6-methylphenyl]cyclopropane-1-carboxylate
CID 175990547
tert-butyl 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzoate
CID 170757331
3-chloro-6-(4,4-difluorocyclohexyl)-2-(ethoxymethyl)benzoic acid
CID 170757658
5-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 170757483
2-[2-(ethoxymethyl)-6-[4-(trifluoromethyl)cyclohexyl]phenyl]benzoic acid
CID 170757261
2-(3-ethoxy-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 82228543
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
ethane;2-(ethoxymethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]benzoic acid
CID 170757268
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
CID 170757378
3-[2-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117405464

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid (CID 170757322) is 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid is CCOCc1cccc(C2CCC(F)(F)CC2)c1C1CC1C(=O)O.
What is the InChIKey of 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is KLPXXJSNLCLFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O3/c1-2-24-11-13-4-3-5-14(12-6-8-19(20,21)9-7-12)17(13)15-10-16(15)18(22)23/h3-5,12,15-16H,2,6-11H2,1H3,(H,22,23).
What are the key properties of 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid?
2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 170757322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).