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

C10H12ClFO — CID 15058794

IUPAC1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene
SMILESCC(OCCF)c1ccccc1Cl
InChIInChI=1S/C10H12ClFO/c1-8(13-7-6-12)9-4-2-3-5-10(9)11/h2-5,8H,6-7H2,1H3
InChIKeyROWXJVLOFBHZHQ-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.39
Rot. Bonds4

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

1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene (PubChem CID 15058794) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene
PubChem CID15058794
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene
SMILESCC(OCCF)c1ccccc1Cl
InChIInChI=1S/C10H12ClFO/c1-8(13-7-6-12)9-4-2-3-5-10(9)11/h2-5,8H,6-7H2,1H3
InChIKeyROWXJVLOFBHZHQ-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1-chloro-2-[1-(3-chloropropoxy)ethyl]benzene
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CID 22164152
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
CID 97180205
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 81378877
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244
2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275640
(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 81379566
3-(2-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105454000
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720791
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene?
The IUPAC name of 1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene (CID 15058794) is 1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene.
What is the SMILES notation for 1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene?
The canonical SMILES for 1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene is CC(OCCF)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene?
The InChIKey is ROWXJVLOFBHZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-8(13-7-6-12)9-4-2-3-5-10(9)11/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene?
1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene has a molecular weight of 202.66 g/mol, XLogP of 3.39, 4 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)ethyl]benzene is sourced from PubChem (CID 15058794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).