1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene

C12H16ClFO — CID 15058795

IUPAC1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene
SMILESCC(C)C(OCCF)c1ccccc1Cl
InChIInChI=1S/C12H16ClFO/c1-9(2)12(15-8-7-14)10-5-3-4-6-11(10)13/h3-6,9,12H,7-8H2,1-2H3
InChIKeyKESAVDHRUZFQPR-UHFFFAOYSA-N
MW230.71 g/mol
LogP4.02
Rot. Bonds5

About 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene

1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene (PubChem CID 15058795) has the molecular formula C12H16ClFO and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene
PubChem CID15058795
Molecular FormulaC12H16ClFO
Molecular Weight230.71 g/mol
Exact Mass230.09
IUPAC Name1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene
SMILESCC(C)C(OCCF)c1ccccc1Cl
InChIInChI=1S/C12H16ClFO/c1-9(2)12(15-8-7-14)10-5-3-4-6-11(10)13/h3-6,9,12H,7-8H2,1-2H3
InChIKeyKESAVDHRUZFQPR-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chlorostyrene oxide
CID 197010
2-(3-Chlorophenyl)oxirane
CID 155613
(3-Chloro-1-methoxypropyl)benzene
CID 97992
4-Chlorostilbene oxide
CID 608511
2-(2-Chlorophenyl)oxirane
CID 560709
(R)-(+)-3-Chlorostyrene oxide
CID 10898919
(2R)-2-(2-chlorophenyl)oxirane
CID 12035191
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile
CID 97941
1-Chloro-4-(3-chloro-1-methoxypropyl)benzene
CID 97935
4-(3-Chloro-1-(1-methylethoxy)propyl)toluene
CID 97974
1,3-Dichloro-2-(methoxymethyl)benzene
CID 118490

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene?
The IUPAC name of 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene (CID 15058795) is 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene.
What is the SMILES notation for 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene?
The canonical SMILES for 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene is CC(C)C(OCCF)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene?
The InChIKey is KESAVDHRUZFQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO/c1-9(2)12(15-8-7-14)10-5-3-4-6-11(10)13/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene?
1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene has a molecular weight of 230.71 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(2-fluoroethoxy)-2-methylpropyl]benzene is sourced from PubChem (CID 15058795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).