(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone

C14H15F3O — CID 114971637

IUPAC(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
SMILESCC1(C)C(C(=O)c2ccc(F)c(F)c2F)C1(C)C
InChIInChI=1S/C14H15F3O/c1-13(2)12(14(13,3)4)11(18)7-5-6-8(15)10(17)9(7)16/h5-6,12H,1-4H3
InChIKeyUDCMXWBTRRQPRF-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.97
Rot. Bonds2

About (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone

(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 114971637) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID114971637
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
SMILESCC1(C)C(C(=O)c2ccc(F)c(F)c2F)C1(C)C
InChIInChI=1S/C14H15F3O/c1-13(2)12(14(13,3)4)11(18)7-5-6-8(15)10(17)9(7)16/h5-6,12H,1-4H3
InChIKeyUDCMXWBTRRQPRF-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 107515193
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
N,2,3,4-tetrafluorobenzamide
CID 91055455
6-bicyclo[3.1.0]hexanyl-(2,3,4-trifluorophenyl)methanone
CID 114971689
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
(4-methylpyrrolidin-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 116572633
(3-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanone
CID 62964101
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 114971667
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone (CID 114971637) is (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone is CC1(C)C(C(=O)c2ccc(F)c(F)c2F)C1(C)C.
What is the InChIKey of (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is UDCMXWBTRRQPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c1-13(2)12(14(13,3)4)11(18)7-5-6-8(15)10(17)9(7)16/h5-6,12H,1-4H3.
What are the key properties of (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone?
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 256.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 114971637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).