1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane

C8H17FO — CID 166005910

IUPAC1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(C)(C)OCCCCF
InChIInChI=1S/C8H17FO/c1-8(2,3)10-7-5-4-6-9/h4-7H2,1-3H3
InChIKeyOZEZDZGCNIARGY-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.55
Rot. Bonds4

About 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane

1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 166005910) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane
PubChem CID166005910
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(C)(C)OCCCCF
InChIInChI=1S/C8H17FO/c1-8(2,3)10-7-5-4-6-9/h4-7H2,1-3H3
InChIKeyOZEZDZGCNIARGY-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 18672802
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
9-[(2-methylpropan-2-yl)oxy]nonane-1-thiol
CID 105344392
16-(10-fluorodecoxy)-16-methylhentriacontane
CID 139714709
2-(3-methoxypropoxy)-2-methylpropane
CID 13445097
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
2,2-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]butoxy]propane
CID 134553500
1-fluoro-4-methoxybutane
CID 20582799
1-[4-(2,2-dimethylpropoxy)butoxy]-5-[(2-methylpropan-2-yl)oxy]pentane
CID 131972636
11-[(2-methylpropan-2-yl)oxy]undec-1-yne
CID 15673920
4-[(2-methylpropan-2-yl)oxy]butyl formate
CID 54406246

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane (CID 166005910) is 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane is CC(C)(C)OCCCCF.
What is the InChIKey of 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is OZEZDZGCNIARGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-8(2,3)10-7-5-4-6-9/h4-7H2,1-3H3.
What are the key properties of 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane?
1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 148.22 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 166005910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).