2-(fluoromethyl)-6-phenylmethoxyoxane

C13H17FO2 — CID 101184720

IUPAC2-(fluoromethyl)-6-phenylmethoxyoxane
SMILESFCC1CCCC(OCc2ccccc2)O1
InChIInChI=1S/C13H17FO2/c14-9-12-7-4-8-13(16-12)15-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyWZXFSZPPBNTHEB-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.07
Rot. Bonds4

About 2-(fluoromethyl)-6-phenylmethoxyoxane

2-(fluoromethyl)-6-phenylmethoxyoxane (PubChem CID 101184720) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-phenylmethoxyoxane.

Molecular Properties

Compound Name2-(fluoromethyl)-6-phenylmethoxyoxane
PubChem CID101184720
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name2-(fluoromethyl)-6-phenylmethoxyoxane
SMILESFCC1CCCC(OCc2ccccc2)O1
InChIInChI=1S/C13H17FO2/c14-9-12-7-4-8-13(16-12)15-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2
InChIKeyWZXFSZPPBNTHEB-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
2-methyl-6-phenylmethoxyoxane
CID 85344658
(2S,6S)-2-(2-bromoethoxy)-6-(phenylmethoxymethyl)oxane
CID 45113682
2-phenylmethoxyoxetane
CID 23030739
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[4,6-bis(phenylmethoxy)oxan-2-yl]methanamine
CID 139575571
8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane
CID 10829854
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol
CID 102291667
azane;cyclopentyloxymethylbenzene
CID 69411306
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-phenylmethoxyoxane?
The IUPAC name of 2-(fluoromethyl)-6-phenylmethoxyoxane (CID 101184720) is 2-(fluoromethyl)-6-phenylmethoxyoxane.
What is the SMILES notation for 2-(fluoromethyl)-6-phenylmethoxyoxane?
The canonical SMILES for 2-(fluoromethyl)-6-phenylmethoxyoxane is FCC1CCCC(OCc2ccccc2)O1.
What is the InChIKey of 2-(fluoromethyl)-6-phenylmethoxyoxane?
The InChIKey is WZXFSZPPBNTHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c14-9-12-7-4-8-13(16-12)15-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2.
What are the key properties of 2-(fluoromethyl)-6-phenylmethoxyoxane?
2-(fluoromethyl)-6-phenylmethoxyoxane has a molecular weight of 224.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-phenylmethoxyoxane is sourced from PubChem (CID 101184720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).