3-(fluoromethyl)-4-methyloxane

C7H13FO — CID 89268036

IUPAC3-(fluoromethyl)-4-methyloxane
SMILESCC1CCOCC1CF
InChIInChI=1S/C7H13FO/c1-6-2-3-9-5-7(6)4-8/h6-7H,2-5H2,1H3
InChIKeyDRTXHBCGLBFWFS-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.63
Rot. Bonds1

About 3-(fluoromethyl)-4-methyloxane

3-(fluoromethyl)-4-methyloxane (PubChem CID 89268036) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-methyloxane.

Molecular Properties

Compound Name3-(fluoromethyl)-4-methyloxane
PubChem CID89268036
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-(fluoromethyl)-4-methyloxane
SMILESCC1CCOCC1CF
InChIInChI=1S/C7H13FO/c1-6-2-3-9-5-7(6)4-8/h6-7H,2-5H2,1H3
InChIKeyDRTXHBCGLBFWFS-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydro-4-methyl-2H-pyran
CID 78446
Tetrahydro-3-methyl-2H-pyran
CID 117721
2-Fluoro-4-methyltetrahydropyran
CID 129723629
(R,S)-3-Methyl-tetrahydro-pyran
CID 58394480
4-Isopropyltetrahydropyran
CID 18713057
4-Ethyloxane
CID 21482444
3-(Fluoromethyl)oxane
CID 15311411
3-(1-Fluoroethyl)oxane
CID 21136565
4-(1,1-Difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane
CID 58731911
3-Ethyl-2-fluorooxane
CID 58813258
4-Fluoro-4-propan-2-yloxane
CID 59326799
CID 59369470
CID 59369470

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-methyloxane?
The IUPAC name of 3-(fluoromethyl)-4-methyloxane (CID 89268036) is 3-(fluoromethyl)-4-methyloxane.
What is the SMILES notation for 3-(fluoromethyl)-4-methyloxane?
The canonical SMILES for 3-(fluoromethyl)-4-methyloxane is CC1CCOCC1CF.
What is the InChIKey of 3-(fluoromethyl)-4-methyloxane?
The InChIKey is DRTXHBCGLBFWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-6-2-3-9-5-7(6)4-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-(fluoromethyl)-4-methyloxane?
3-(fluoromethyl)-4-methyloxane has a molecular weight of 132.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-methyloxane is sourced from PubChem (CID 89268036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).