1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane

C10H20F2O — CID 131993511

IUPAC1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
SMILESCC(C)OC(F)(F)C(C)(C)C(C)C
InChIInChI=1S/C10H20F2O/c1-7(2)9(5,6)10(11,12)13-8(3)4/h7-8H,1-6H3
InChIKeyJXNVXQVYEOFDPF-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.69
Rot. Bonds4

About 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane

1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane (PubChem CID 131993511) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane.

Molecular Properties

Compound Name1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
PubChem CID131993511
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane
SMILESCC(C)OC(F)(F)C(C)(C)C(C)C
InChIInChI=1S/C10H20F2O/c1-7(2)9(5,6)10(11,12)13-8(3)4/h7-8H,1-6H3
InChIKeyJXNVXQVYEOFDPF-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,2,2-tetrafluoro-3-methyl-1-propan-2-yloxybutane
CID 170221405
2-[difluoro(propan-2-yloxy)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 22979427
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675
2-[difluoro(propan-2-yloxy)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 171417874
1,1-difluoro-1-propan-2-yloxypropane
CID 154670708
1-propan-2-yloxyethane-1,1-diamine
CID 163518548
4,5,5,6-tetramethyl-1,1,1,4-tetra(propan-2-yloxy)heptane-2,3-dione
CID 141041792
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
2-chloro-2-fluoro-3-methylbutane
CID 88897527
2,3,3,4,4,5,5,6,6,7,7,8-dodecamethylnonane
CID 58764501
2-bromo-1-chloro-1-fluoro-2-methoxy-1-propan-2-yloxypropane
CID 123569607
1,1,1-trichloro-2-methyl-2-propan-2-yloxypropane
CID 20782608

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane?
The IUPAC name of 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane (CID 131993511) is 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane.
What is the SMILES notation for 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane?
The canonical SMILES for 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane is CC(C)OC(F)(F)C(C)(C)C(C)C.
What is the InChIKey of 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane?
The InChIKey is JXNVXQVYEOFDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O/c1-7(2)9(5,6)10(11,12)13-8(3)4/h7-8H,1-6H3.
What are the key properties of 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane?
1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane has a molecular weight of 194.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,2,3-trimethyl-1-propan-2-yloxybutane is sourced from PubChem (CID 131993511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).