1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane

C10H21FO — CID 146509043

IUPAC1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane
SMILESCC(C)COCC(CF)C(C)C
InChIInChI=1S/C10H21FO/c1-8(2)6-12-7-10(5-11)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyLQXRASDCVKZULO-UHFFFAOYSA-N
MW176.28 g/mol
LogP2.90
Rot. Bonds6

About 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane

1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane (PubChem CID 146509043) has the molecular formula C10H21FO and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane.

Molecular Properties

Compound Name1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane
PubChem CID146509043
Molecular FormulaC10H21FO
Molecular Weight176.28 g/mol
Exact Mass176.16
IUPAC Name1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane
SMILESCC(C)COCC(CF)C(C)C
InChIInChI=1S/C10H21FO/c1-8(2)6-12-7-10(5-11)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyLQXRASDCVKZULO-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
(3S)-2,5-dimethyl-3-[[3-methyl-2-[[(2R)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]hexane
CID 87692911
3-methyl-2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-thiol
CID 106451137
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
3-(bromomethyl)-4-methyl-1-(2-methylpropoxy)pentane
CID 106459621
3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
CID 106459451
ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 171646714
(3R)-3-(fluoromethyl)-2-methylpentane
CID 88580229
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
2-methyl-1-(2-methylpropoxy)propane;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 167710729
1-[2-[1,3-bis(2-methylpropoxy)propan-2-yloxymethoxy]-3-(2-methylpropoxy)propoxy]-2-methylpropane
CID 19753155
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane?
The IUPAC name of 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane (CID 146509043) is 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane.
What is the SMILES notation for 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane?
The canonical SMILES for 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane is CC(C)COCC(CF)C(C)C.
What is the InChIKey of 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane?
The InChIKey is LQXRASDCVKZULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO/c1-8(2)6-12-7-10(5-11)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane?
1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane has a molecular weight of 176.28 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-2-(2-methylpropoxymethyl)butane is sourced from PubChem (CID 146509043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).