3-fluoro-3-methoxy-2,2-dimethylpentane

C8H17FO — CID 88871756

IUPAC3-fluoro-3-methoxy-2,2-dimethylpentane
SMILESCCC(F)(OC)C(C)(C)C
InChIInChI=1S/C8H17FO/c1-6-8(9,10-5)7(2,3)4/h6H2,1-5H3
InChIKeyURZQYUDAIQIYFO-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.75
Rot. Bonds2

About 3-fluoro-3-methoxy-2,2-dimethylpentane

3-fluoro-3-methoxy-2,2-dimethylpentane (PubChem CID 88871756) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 3-fluoro-3-methoxy-2,2-dimethylpentane.

Molecular Properties

Compound Name3-fluoro-3-methoxy-2,2-dimethylpentane
PubChem CID88871756
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name3-fluoro-3-methoxy-2,2-dimethylpentane
SMILESCCC(F)(OC)C(C)(C)C
InChIInChI=1S/C8H17FO/c1-6-8(9,10-5)7(2,3)4/h6H2,1-5H3
InChIKeyURZQYUDAIQIYFO-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-2,4,4-trimethylpentane
CID 552215
3-Fluoro-2,2,4,4-tetramethyl-3-(trifluoromethoxy)pentane
CID 58548692
3-Fluoro-3-methoxy-2,2,4,4-tetramethylpentane
CID 58548722
2,2,4,4-Tetramethyl-3-(trifluoromethoxy)pentane
CID 58548733
1,1,1-Trifluoro-2-methoxy-2,4,4-trimethylpentane
CID 88864766
2-Fluoro-1-methoxy-2,4,4-trimethylpentane
CID 132046192
(2R)-2-fluoro-1-methoxy-2,4,4-trimethylpentane
CID 140919930
(2S)-2-fluoro-1-methoxy-2,4,4-trimethylpentane
CID 140919945
3,3,4-Trifluoro-4-methoxy-2,2,5,5-tetramethylhexane
CID 156891957
Ethane;1,1,1-trifluoro-3-methoxy-4,4-dimethylpentane
CID 168173177
3-Fluoro-2,2-dimethyl-3-propoxypentane
CID 170000467
Pentane, 2,2,4,4-tetramethyl-3-methoxy-
CID 568142

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methoxy-2,2-dimethylpentane?
The IUPAC name of 3-fluoro-3-methoxy-2,2-dimethylpentane (CID 88871756) is 3-fluoro-3-methoxy-2,2-dimethylpentane.
What is the SMILES notation for 3-fluoro-3-methoxy-2,2-dimethylpentane?
The canonical SMILES for 3-fluoro-3-methoxy-2,2-dimethylpentane is CCC(F)(OC)C(C)(C)C.
What is the InChIKey of 3-fluoro-3-methoxy-2,2-dimethylpentane?
The InChIKey is URZQYUDAIQIYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-6-8(9,10-5)7(2,3)4/h6H2,1-5H3.
What are the key properties of 3-fluoro-3-methoxy-2,2-dimethylpentane?
3-fluoro-3-methoxy-2,2-dimethylpentane has a molecular weight of 148.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methoxy-2,2-dimethylpentane is sourced from PubChem (CID 88871756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).