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

C11H14ClFO — CID 22164152

IUPAC1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene
SMILESCC(Cc1ccccc1Cl)OCCF
InChIInChI=1S/C11H14ClFO/c1-9(14-7-6-13)8-10-4-2-3-5-11(10)12/h2-5,9H,6-8H2,1H3
InChIKeyTVMZBGCPEUIBMF-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.26
Rot. Bonds5

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

1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene (PubChem CID 22164152) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene
PubChem CID22164152
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene
SMILESCC(Cc1ccccc1Cl)OCCF
InChIInChI=1S/C11H14ClFO/c1-9(14-7-6-13)8-10-4-2-3-5-11(10)12/h2-5,9H,6-8H2,1H3
InChIKeyTVMZBGCPEUIBMF-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene
CID 15058794
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
1-chloro-2-(2-propan-2-yloxyethyl)benzene
CID 91691644
(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine
CID 129393023
3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol
CID 174484313
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
1-chloro-2-[2-[2-[2-[1-(2-chlorophenyl)-3-methoxypropan-2-yl]oxyethoxy]ethoxy]-3-methoxypropyl]benzene
CID 142784737
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
CID 102868324
1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
CID 116711926
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60995305

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene?
The IUPAC name of 1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene (CID 22164152) is 1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene.
What is the SMILES notation for 1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene?
The canonical SMILES for 1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene is CC(Cc1ccccc1Cl)OCCF.
What is the InChIKey of 1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene?
The InChIKey is TVMZBGCPEUIBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-9(14-7-6-13)8-10-4-2-3-5-11(10)12/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene?
1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene has a molecular weight of 216.68 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(2-fluoroethoxy)propyl]benzene is sourced from PubChem (CID 22164152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).