3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane

C10H21FO — CID 58548722

IUPAC3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane
SMILESCOC(F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21FO/c1-8(2,3)10(11,12-7)9(4,5)6/h1-7H3
InChIKeyVRGQIDWKCAKWCT-UHFFFAOYSA-N
MW176.27 g/mol
LogP3.39
Rot. Bonds1

About 3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane

3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane (PubChem CID 58548722) has the molecular formula C10H21FO and a molecular weight of 176.27 g/mol. Its IUPAC name is 3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane
PubChem CID58548722
Molecular FormulaC10H21FO
Molecular Weight176.27 g/mol
Exact Mass176.16
IUPAC Name3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane
SMILESCOC(F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21FO/c1-8(2,3)10(11,12-7)9(4,5)6/h1-7H3
InChIKeyVRGQIDWKCAKWCT-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 53.39
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
2,2,4,4-Tetramethyl-3-(trifluoromethoxy)pentane
CID 58548733
1,1,1-Trifluoro-2-methoxy-2,4,4-trimethylpentane
CID 88864766
3-Fluoro-3-methoxy-2,2-dimethylpentane
CID 88871756
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-2,2,4,4-tetramethylpentane?
The IUPAC name of 3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane (CID 58548722) is 3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane.
What is the SMILES notation for 3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane?
The canonical SMILES for 3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane is COC(F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane?
The InChIKey is VRGQIDWKCAKWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO/c1-8(2,3)10(11,12-7)9(4,5)6/h1-7H3.
What are the key properties of 3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane?
3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane has a molecular weight of 176.27 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methoxy-2,2,4,4-tetramethylpentane is sourced from PubChem (CID 58548722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).