(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C15H19FO2 — CID 66476859

IUPAC(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOc1ccc(C(=O)C2C(C)(C)C2(C)C)cc1F
InChIInChI=1S/C15H19FO2/c1-14(2)13(15(14,3)4)12(17)9-6-7-11(18-5)10(16)8-9/h6-8,13H,1-5H3
InChIKeyYCSCHRQRIWWIFV-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.70
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 66476859) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID66476859
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOc1ccc(C(=O)C2C(C)(C)C2(C)C)cc1F
InChIInChI=1S/C15H19FO2/c1-14(2)13(15(14,3)4)12(17)9-6-7-11(18-5)10(16)8-9/h6-8,13H,1-5H3
InChIKeyYCSCHRQRIWWIFV-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methoxybenzoate
CID 4251674
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
[1-(dimethylamino)cyclopentyl]-(3-fluoro-4-methoxyphenyl)methanone
CID 79067601
(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572516
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 82281962
1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione
CID 118644019
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
CID 79698755
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115275231

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 66476859) is (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is COc1ccc(C(=O)C2C(C)(C)C2(C)C)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is YCSCHRQRIWWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-14(2)13(15(14,3)4)12(17)9-6-7-11(18-5)10(16)8-9/h6-8,13H,1-5H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 250.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 66476859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).