3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane

C11H24F4O — CID 159963583

IUPAC3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane
SMILESC.C.CCC1(F)COCCCC1(F)F.CF
InChIInChI=1S/C8H13F3O.CH3F.2CH4/c1-2-7(9)6-12-5-3-4-8(7,10)11;1-2;;/h2-6H2,1H3;1H3;2*1H4
InChIKeyODQGWUQHBORMPN-UHFFFAOYSA-N
MW248.30 g/mol
LogP4.41
Rot. Bonds1

About 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane

3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane (PubChem CID 159963583) has the molecular formula C11H24F4O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane.

Molecular Properties

Compound Name3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane
PubChem CID159963583
Molecular FormulaC11H24F4O
Molecular Weight248.30 g/mol
Exact Mass248.18
IUPAC Name3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane
SMILESC.C.CCC1(F)COCCCC1(F)F.CF
InChIInChI=1S/C8H13F3O.CH3F.2CH4/c1-2-7(9)6-12-5-3-4-8(7,10)11;1-2;;/h2-6H2,1H3;1H3;2*1H4
InChIKeyODQGWUQHBORMPN-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-3,4,4-trifluorooxepane
CID 18737311
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(3R)-3-(bromomethyl)-3-methyloxane
CID 124636948
3-methyl-3-(2-methylbutan-2-yl)oxane
CID 144692005
3-pentan-3-yloxane-3-carboxylic acid
CID 103743922
2-ethyl-2-fluorooxolane;fluoroethane;fluoromethane
CID 91569034
N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
CID 94930520
2-(3-ethoxyoxan-3-yl)acetic acid
CID 105443019
methyl 2-(3-aminooxan-3-yl)acetate
CID 75356322
ethyl 3-aminooxane-3-carboxylate;hydrochloride
CID 138991136
[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride
CID 168963553
2-(3-fluorooxan-3-yl)propan-2-amine
CID 105431698

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane?
The IUPAC name of 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane (CID 159963583) is 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane.
What is the SMILES notation for 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane?
The canonical SMILES for 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane is C.C.CCC1(F)COCCCC1(F)F.CF.
What is the InChIKey of 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane?
The InChIKey is ODQGWUQHBORMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O.CH3F.2CH4/c1-2-7(9)6-12-5-3-4-8(7,10)11;1-2;;/h2-6H2,1H3;1H3;2*1H4.
What are the key properties of 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane?
3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane has a molecular weight of 248.30 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane is sourced from PubChem (CID 159963583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).