(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C14H17FO — CID 114962696

IUPAC(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cccc(F)c2)C1(C)C
InChIInChI=1S/C14H17FO/c1-13(2)12(14(13,3)4)11(16)9-6-5-7-10(15)8-9/h5-8,12H,1-4H3
InChIKeyAIGMFTJFMPXVOX-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.69
Rot. Bonds2

About (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 114962696) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID114962696
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cccc(F)c2)C1(C)C
InChIInChI=1S/C14H17FO/c1-13(2)12(14(13,3)4)11(16)9-6-5-7-10(15)8-9/h5-8,12H,1-4H3
InChIKeyAIGMFTJFMPXVOX-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluorophenyl)-(2-methylcyclopropyl)methanone
CID 65421676
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
CID 54496453
3-fluorobenzoyl bromide
CID 20822510
methyl 3-fluorobenzoate
CID 521184
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
(3,5-dimethyl-1-adamantyl)-(3-fluorophenyl)methanone
CID 79995520
bismuth tris(3-fluorobenzoate)
CID 132504465
trans-(1R,2R)-2-(3-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 24722440
1-(3-fluorophenyl)-2-methylprop-2-en-1-one
CID 11159505
tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate
CID 54203186
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 114962696) is (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cccc(F)c2)C1(C)C.
What is the InChIKey of (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is AIGMFTJFMPXVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-13(2)12(14(13,3)4)11(16)9-6-5-7-10(15)8-9/h5-8,12H,1-4H3.
What are the key properties of (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 220.29 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 114962696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).