2-[(4-chloro-3-fluorophenoxy)methyl]oxane

C12H14ClFO2 — CID 82705903

IUPAC2-[(4-chloro-3-fluorophenoxy)methyl]oxane
SMILESFc1cc(OCC2CCCCO2)ccc1Cl
InChIInChI=1S/C12H14ClFO2/c13-11-5-4-9(7-12(11)14)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8H2
InChIKeyLGSRXZRGGYNXBA-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.43
Rot. Bonds3

About 2-[(4-chloro-3-fluorophenoxy)methyl]oxane

2-[(4-chloro-3-fluorophenoxy)methyl]oxane (PubChem CID 82705903) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenoxy)methyl]oxane.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenoxy)methyl]oxane
PubChem CID82705903
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name2-[(4-chloro-3-fluorophenoxy)methyl]oxane
SMILESFc1cc(OCC2CCCCO2)ccc1Cl
InChIInChI=1S/C12H14ClFO2/c13-11-5-4-9(7-12(11)14)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8H2
InChIKeyLGSRXZRGGYNXBA-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 107719943
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N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
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(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
2,5-dichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
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4-chloro-2-(oxan-2-ylmethoxy)aniline
CID 62306028
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
N-[(4-chloro-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362843
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
(2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxane;hydrochloride
CID 161179637

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]oxane?
The IUPAC name of 2-[(4-chloro-3-fluorophenoxy)methyl]oxane (CID 82705903) is 2-[(4-chloro-3-fluorophenoxy)methyl]oxane.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenoxy)methyl]oxane?
The canonical SMILES for 2-[(4-chloro-3-fluorophenoxy)methyl]oxane is Fc1cc(OCC2CCCCO2)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-fluorophenoxy)methyl]oxane?
The InChIKey is LGSRXZRGGYNXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c13-11-5-4-9(7-12(11)14)16-8-10-3-1-2-6-15-10/h4-5,7,10H,1-3,6,8H2.
What are the key properties of 2-[(4-chloro-3-fluorophenoxy)methyl]oxane?
2-[(4-chloro-3-fluorophenoxy)methyl]oxane has a molecular weight of 244.69 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenoxy)methyl]oxane is sourced from PubChem (CID 82705903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).