3-(fluoromethyl)oxane

C6H11FO — CID 15311411

IUPAC3-(fluoromethyl)oxane
SMILESFCC1CCCOC1
InChIInChI=1S/C6H11FO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2
InChIKeyRKTIMNGGQCCWSR-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.38
Rot. Bonds1

About 3-(fluoromethyl)oxane

3-(fluoromethyl)oxane (PubChem CID 15311411) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-(fluoromethyl)oxane.

Molecular Properties

Compound Name3-(fluoromethyl)oxane
PubChem CID15311411
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-(fluoromethyl)oxane
SMILESFCC1CCCOC1
InChIInChI=1S/C6H11FO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2
InChIKeyRKTIMNGGQCCWSR-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydro-3-methyl-2H-pyran
CID 117721
4-(Trifluoromethyl)tetrahydro-2H-pyran
CID 54105449
2H-Pyran, 4-(difluoromethyl)tetrahydro-
CID 97890136
2-Fluoro-4-methyltetrahydropyran
CID 129723629
(R,S)-3-Methyl-tetrahydro-pyran
CID 58394480
3-(1-Fluoroethyl)oxane
CID 21136565
3-Ethyl-2-fluorooxane
CID 58813258
4-Fluoro-4-propan-2-yloxane
CID 59326799
CID 59369470
CID 59369470
3-Fluoro-4-propan-2-yloxane
CID 59447843
3-Fluoro-4-methyloxane
CID 59734978
2,2-Difluoro-5-methyloxane
CID 59876024

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)oxane?
The IUPAC name of 3-(fluoromethyl)oxane (CID 15311411) is 3-(fluoromethyl)oxane.
What is the SMILES notation for 3-(fluoromethyl)oxane?
The canonical SMILES for 3-(fluoromethyl)oxane is FCC1CCCOC1.
What is the InChIKey of 3-(fluoromethyl)oxane?
The InChIKey is RKTIMNGGQCCWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2.
What are the key properties of 3-(fluoromethyl)oxane?
3-(fluoromethyl)oxane has a molecular weight of 118.15 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)oxane is sourced from PubChem (CID 15311411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).