4-fluoro-4-(2-methylpropyl)oxane

C9H17FO — CID 126705509

IUPAC4-fluoro-4-(2-methylpropyl)oxane
SMILESCC(C)CC1(F)CCOCC1
InChIInChI=1S/C9H17FO/c1-8(2)7-9(10)3-5-11-6-4-9/h8H,3-7H2,1-2H3
InChIKeyWFJQFBPZTHQBQW-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.55
Rot. Bonds2

About 4-fluoro-4-(2-methylpropyl)oxane

4-fluoro-4-(2-methylpropyl)oxane (PubChem CID 126705509) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 4-fluoro-4-(2-methylpropyl)oxane.

Molecular Properties

Compound Name4-fluoro-4-(2-methylpropyl)oxane
PubChem CID126705509
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name4-fluoro-4-(2-methylpropyl)oxane
SMILESCC(C)CC1(F)CCOCC1
InChIInChI=1S/C9H17FO/c1-8(2)7-9(10)3-5-11-6-4-9/h8H,3-7H2,1-2H3
InChIKeyWFJQFBPZTHQBQW-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxy-3-ethyl-5-methylhexane
CID 231562
Trimethyl oxane
CID 67859835
3-(1-Fluoroethyl)oxane
CID 21136565
1-(2-Fluoroethoxy)-3,5,5-trimethylhexane
CID 54376322
(4S)-2,4-dimethyl-2-(trifluoromethyl)oxane
CID 57682168
(4S,5R)-2-fluoro-6-(fluoromethyl)-3,4,5-trimethyloxane
CID 58241357
(4S,5R)-2-fluoro-3,4,5,6-tetramethyloxane
CID 58241366
2-Ethyl-2-fluoro-3-methyloxane
CID 58545281
6-Ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium
CID 58766550
6-Ethoxy-1,1,1-trifluoro-2-methylhexane
CID 58766551
3-Ethyl-2-fluorooxane
CID 58813258
1-(Ethoxymethyl)-1-fluoro-4-methylcyclohexane
CID 58943136

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(2-methylpropyl)oxane?
The IUPAC name of 4-fluoro-4-(2-methylpropyl)oxane (CID 126705509) is 4-fluoro-4-(2-methylpropyl)oxane.
What is the SMILES notation for 4-fluoro-4-(2-methylpropyl)oxane?
The canonical SMILES for 4-fluoro-4-(2-methylpropyl)oxane is CC(C)CC1(F)CCOCC1.
What is the InChIKey of 4-fluoro-4-(2-methylpropyl)oxane?
The InChIKey is WFJQFBPZTHQBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-8(2)7-9(10)3-5-11-6-4-9/h8H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-4-(2-methylpropyl)oxane?
4-fluoro-4-(2-methylpropyl)oxane has a molecular weight of 160.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2-methylpropyl)oxane is sourced from PubChem (CID 126705509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).