3-(2,2-dimethylbutyl)-3-fluorooxetane

C9H17FO — CID 139360161

IUPAC3-(2,2-dimethylbutyl)-3-fluorooxetane
SMILESCCC(C)(C)CC1(F)COC1
InChIInChI=1S/C9H17FO/c1-4-8(2,3)5-9(10)6-11-7-9/h4-7H2,1-3H3
InChIKeyCCSJBSJVQVHNIA-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.55
Rot. Bonds3

About 3-(2,2-dimethylbutyl)-3-fluorooxetane

3-(2,2-dimethylbutyl)-3-fluorooxetane (PubChem CID 139360161) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 3-(2,2-dimethylbutyl)-3-fluorooxetane.

Molecular Properties

Compound Name3-(2,2-dimethylbutyl)-3-fluorooxetane
PubChem CID139360161
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name3-(2,2-dimethylbutyl)-3-fluorooxetane
SMILESCCC(C)(C)CC1(F)COC1
InChIInChI=1S/C9H17FO/c1-4-8(2,3)5-9(10)6-11-7-9/h4-7H2,1-3H3
InChIKeyCCSJBSJVQVHNIA-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

Oxetane, 3,3-dibutyl
CID 529231
Oxetane, 3,3-dipropyl
CID 529238
Oxetane, 3-ethyl-3-butyl
CID 529312
1-(2-Fluoroethoxy)-3,5,5-trimethylhexane
CID 54376322
5,5-Difluoro-1-methoxy-2,2-dimethylhexane
CID 88054563
3-(2,2-Dimethylpropyl)-3-fluorooxetane
CID 130399695
4-Ethyl-2,2-difluoro-1-methoxy-4-methylhexane
CID 132040399
3-(2-Ethyl-2-methylbutyl)-3-fluorooxetane
CID 132046211
4-Ethyl-2-fluoro-1-methoxy-2,4-dimethylhexane
CID 132046213
(2S)-4-ethyl-2-fluoro-1-methoxy-2,4-dimethylhexane
CID 132050970
4-Ethyl-2-fluoro-1-methoxy-4-methylhexane
CID 132051070
3-(2,2-Dimethylhexyl)-3-fluorooxetane
CID 134199640

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutyl)-3-fluorooxetane?
The IUPAC name of 3-(2,2-dimethylbutyl)-3-fluorooxetane (CID 139360161) is 3-(2,2-dimethylbutyl)-3-fluorooxetane.
What is the SMILES notation for 3-(2,2-dimethylbutyl)-3-fluorooxetane?
The canonical SMILES for 3-(2,2-dimethylbutyl)-3-fluorooxetane is CCC(C)(C)CC1(F)COC1.
What is the InChIKey of 3-(2,2-dimethylbutyl)-3-fluorooxetane?
The InChIKey is CCSJBSJVQVHNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-4-8(2,3)5-9(10)6-11-7-9/h4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylbutyl)-3-fluorooxetane?
3-(2,2-dimethylbutyl)-3-fluorooxetane has a molecular weight of 160.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutyl)-3-fluorooxetane is sourced from PubChem (CID 139360161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).