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

C14H16ClFO — CID 115791460

IUPAC(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2ccc(Cl)cc2F)C1(C)C
InChIInChI=1S/C14H16ClFO/c1-13(2)12(14(13,3)4)11(17)9-6-5-8(15)7-10(9)16/h5-7,12H,1-4H3
InChIKeyIMUSWJVUCBCCHJ-UHFFFAOYSA-N
MW254.73 g/mol
LogP4.34
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 115791460) has the molecular formula C14H16ClFO and a molecular weight of 254.73 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID115791460
Molecular FormulaC14H16ClFO
Molecular Weight254.73 g/mol
Exact Mass254.09
IUPAC Name(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2ccc(Cl)cc2F)C1(C)C
InChIInChI=1S/C14H16ClFO/c1-13(2)12(14(13,3)4)11(17)9-6-5-8(15)7-10(9)16/h5-7,12H,1-4H3
InChIKeyIMUSWJVUCBCCHJ-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.73
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
CID 114971637
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CID 24724178
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
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1-(4-chloro-2-fluorophenyl)ethanone;ethane
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1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
CID 23048180
(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
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(4-chloro-2-fluorophenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592268
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 116517023
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
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2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 115791460) is (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2ccc(Cl)cc2F)C1(C)C.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is IMUSWJVUCBCCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO/c1-13(2)12(14(13,3)4)11(17)9-6-5-8(15)7-10(9)16/h5-7,12H,1-4H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 254.73 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 115791460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).