methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate

C14H17FO3 — CID 116842814

IUPACmethyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(F)ccc2OC)CC1(C)C
InChIInChI=1S/C14H17FO3/c1-13(2)8-14(13,12(16)18-4)10-7-9(15)5-6-11(10)17-3/h5-7H,8H2,1-4H3
InChIKeyMRPPJFLPDWODMH-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.67
Rot. Bonds3

About methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate

methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 116842814) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID116842814
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Namemethyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(F)ccc2OC)CC1(C)C
InChIInChI=1S/C14H17FO3/c1-13(2)8-14(13,12(16)18-4)10-7-9(15)5-6-11(10)17-3/h5-7H,8H2,1-4H3
InChIKeyMRPPJFLPDWODMH-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(5-bromo-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842825
2-(5-fluoro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxylic acid
CID 82114871
methyl 2,2-dimethyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carboxylate
CID 116842847
methyl 1-(3-chloro-4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842813
1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83487485
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
3-(5-fluoro-2-methoxyphenyl)-4,4-dimethylthian-3-ol
CID 82770394
8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 82770535
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
[4-(5-fluoro-2-methoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82088194
(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 116842814) is methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)C1(c2cc(F)ccc2OC)CC1(C)C.
What is the InChIKey of methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is MRPPJFLPDWODMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-13(2)8-14(13,12(16)18-4)10-7-9(15)5-6-11(10)17-3/h5-7H,8H2,1-4H3.
What are the key properties of methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate?
methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 252.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 116842814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).