1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene

C11H14ClFO — CID 163705099

IUPAC1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene
SMILESCC(F)Oc1ccc(Cl)c(C(C)C)c1
InChIInChI=1S/C11H14ClFO/c1-7(2)10-6-9(14-8(3)13)4-5-11(10)12/h4-8H,1-3H3
InChIKeyPPQNYXRHEKKOIU-UHFFFAOYSA-N
MW216.68 g/mol
LogP4.16
Rot. Bonds3

About 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene

1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene (PubChem CID 163705099) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene
PubChem CID163705099
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene
SMILESCC(F)Oc1ccc(Cl)c(C(C)C)c1
InChIInChI=1S/C11H14ClFO/c1-7(2)10-6-9(14-8(3)13)4-5-11(10)12/h4-8H,1-3H3
InChIKeyPPQNYXRHEKKOIU-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-cyclopentyloxy-2-propan-2-ylbenzene
CID 118404641
2-(3-chlorophenyl)-2-(4-chloro-3-propan-2-ylphenoxy)acetic acid
CID 21063798
5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine
CID 163705100
1-(4-chloro-3-propan-2-ylphenyl)ethanone
CID 58358949
methyl (2R)-2-[3-(1-bromoethyl)-4-chlorophenoxy]propanoate
CID 174470563
1-[4-(1-fluoroethoxy)phenyl]ethanone;molecular hydrogen
CID 162436996
1-(4-chloro-3-propan-2-ylphenyl)propan-2-one
CID 157171758
1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
CID 84733712
1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene
CID 166584162
[(1R)-1-fluoroethoxy]benzene
CID 175733278
2-chloro-5-propan-2-yloxyaniline
CID 39237829
2-chloro-5-(difluoromethoxy)benzenethiol
CID 119002966

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene?
The IUPAC name of 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene (CID 163705099) is 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene is CC(F)Oc1ccc(Cl)c(C(C)C)c1.
What is the InChIKey of 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene?
The InChIKey is PPQNYXRHEKKOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-7(2)10-6-9(14-8(3)13)4-5-11(10)12/h4-8H,1-3H3.
What are the key properties of 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene?
1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene has a molecular weight of 216.68 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-fluoroethoxy)-2-propan-2-ylbenzene is sourced from PubChem (CID 163705099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).