1-but-3-ynoxy-1,1-difluoro-2-methylpropane

C8H12F2O — CID 58422619

IUPAC1-but-3-ynoxy-1,1-difluoro-2-methylpropane
SMILESC#CCCOC(F)(F)C(C)C
InChIInChI=1S/C8H12F2O/c1-4-5-6-11-8(9,10)7(2)3/h1,7H,5-6H2,2-3H3
InChIKeyBCQBGLAWNAHNRB-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.28
Rot. Bonds4

About 1-but-3-ynoxy-1,1-difluoro-2-methylpropane

1-but-3-ynoxy-1,1-difluoro-2-methylpropane (PubChem CID 58422619) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-but-3-ynoxy-1,1-difluoro-2-methylpropane.

Molecular Properties

Compound Name1-but-3-ynoxy-1,1-difluoro-2-methylpropane
PubChem CID58422619
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-but-3-ynoxy-1,1-difluoro-2-methylpropane
SMILESC#CCCOC(F)(F)C(C)C
InChIInChI=1S/C8H12F2O/c1-4-5-6-11-8(9,10)7(2)3/h1,7H,5-6H2,2-3H3
InChIKeyBCQBGLAWNAHNRB-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbutan-2-yl(pent-4-ynoxy)silane
CID 173014028
2-but-3-ynoxy-2-methylpropane;methane;bis(1-[(2-methylpropan-2-yl)oxy]butan-2-ol);bis((2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-ol);bis((2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-ol);2-methyl-2-prop-2-ynoxypropane
CID 160586903
5-(difluoromethoxy)pent-1-yne
CID 87387493
N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 24984157
N-(2-but-3-ynoxyethyl)propan-2-amine
CID 62342205
(2S)-2-but-3-ynoxypropanoic acid
CID 104876016
tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
CID 25098862
11-[(2-methylpropan-2-yl)oxy]undec-1-yne
CID 15673920
5-pent-4-ynoxypent-1-yne
CID 57020380
2,2-difluorohept-6-yn-3-amine
CID 130642457
N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 147538116
tert-butyl-hexadec-15-ynoxy-dimethylsilane
CID 23073442

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynoxy-1,1-difluoro-2-methylpropane?
The IUPAC name of 1-but-3-ynoxy-1,1-difluoro-2-methylpropane (CID 58422619) is 1-but-3-ynoxy-1,1-difluoro-2-methylpropane.
What is the SMILES notation for 1-but-3-ynoxy-1,1-difluoro-2-methylpropane?
The canonical SMILES for 1-but-3-ynoxy-1,1-difluoro-2-methylpropane is C#CCCOC(F)(F)C(C)C.
What is the InChIKey of 1-but-3-ynoxy-1,1-difluoro-2-methylpropane?
The InChIKey is BCQBGLAWNAHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-4-5-6-11-8(9,10)7(2)3/h1,7H,5-6H2,2-3H3.
What are the key properties of 1-but-3-ynoxy-1,1-difluoro-2-methylpropane?
1-but-3-ynoxy-1,1-difluoro-2-methylpropane has a molecular weight of 162.18 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynoxy-1,1-difluoro-2-methylpropane is sourced from PubChem (CID 58422619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).