1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone

C11H12ClFO2 — CID 18704571

IUPAC1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone
SMILESCC(C)Oc1cc(C(=O)CF)ccc1Cl
InChIInChI=1S/C11H12ClFO2/c1-7(2)15-11-5-8(10(14)6-13)3-4-9(11)12/h3-5,7H,6H2,1-2H3
InChIKeyOHUDIDGHDBGDBK-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone

1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone (PubChem CID 18704571) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone
PubChem CID18704571
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone
SMILESCC(C)Oc1cc(C(=O)CF)ccc1Cl
InChIInChI=1S/C11H12ClFO2/c1-7(2)15-11-5-8(10(14)6-13)3-4-9(11)12/h3-5,7H,6H2,1-2H3
InChIKeyOHUDIDGHDBGDBK-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-((4-Chlorobenzyl)oxy)phenyl)ethanone
CID 580653
(2E)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346177
4-Chloro-3-methoxybenzoic acid
CID 2063378
4-Chloro-3-methoxybenzaldehyde
CID 12909725
1-Acetyl-3-[(4-chlorophenyl)methoxy]benzene
CID 895200
2-Chloro-3-methoxybenzaldehyde
CID 12575695
3-[(4-Chlorobenzyl)oxy]benzaldehyde
CID 693301
(2E)-1-(4-chlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 5346520
1-[4-[(4-Chlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863383
(2E)-3-(4-Chlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 5346148
3-[(2-Chloro-6-fluorobenzyl)oxy]benzaldehyde
CID 701102
1-[3-[(3-Chlorophenyl)methoxy]phenyl]ethanone
CID 28369336

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone?
The IUPAC name of 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone (CID 18704571) is 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone.
What is the SMILES notation for 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone?
The canonical SMILES for 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone is CC(C)Oc1cc(C(=O)CF)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone?
The InChIKey is OHUDIDGHDBGDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-7(2)15-11-5-8(10(14)6-13)3-4-9(11)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone?
1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone has a molecular weight of 230.67 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-propan-2-yloxyphenyl)-2-fluoroethanone is sourced from PubChem (CID 18704571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).