4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane

C10H20F2O2 — CID 88215256

IUPAC4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane
SMILESCC(C)(COC)OCCCC(C)(F)F
InChIInChI=1S/C10H20F2O2/c1-9(2,8-13-4)14-7-5-6-10(3,11)12/h5-8H2,1-4H3
InChIKeyHUFINZAJXDIIFV-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.30
Rot. Bonds7

About 4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane

4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane (PubChem CID 88215256) has the molecular formula C10H20F2O2 and a molecular weight of 210.26 g/mol. Its IUPAC name is 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane.

Molecular Properties

Compound Name4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane
PubChem CID88215256
Molecular FormulaC10H20F2O2
Molecular Weight210.26 g/mol
Exact Mass210.14
IUPAC Name4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane
SMILESCC(C)(COC)OCCCC(C)(F)F
InChIInChI=1S/C10H20F2O2/c1-9(2,8-13-4)14-7-5-6-10(3,11)12/h5-8H2,1-4H3
InChIKeyHUFINZAJXDIIFV-UHFFFAOYSA-N
XLogP2.30
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity158

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-2,5-dioxadecane
CID 10655629
1,2-Bis(3-fluoropropoxy)pentane
CID 57074039
2-(2-Butoxy-3,3,3-trifluoropropoxy)hexane
CID 58185816
2-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-2-methylpropane
CID 59205105
2-[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane
CID 59223647
2-methyl-2-[(2R)-1,1,1-trifluoro-3-propan-2-yloxypropan-2-yl]oxypropane
CID 59223649
2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane
CID 59223650
2-methyl-2-[(2R)-1,1,1-trifluoro-3-(2-methoxyethoxy)propan-2-yl]oxypropane
CID 59223653
1-[2-[2-(4,4,4-Trifluorobutoxy)ethoxy]ethoxy]pentane
CID 87701324
1-(1,1,2,2-Tetrafluoro-2-propan-2-yloxyethoxy)pentane
CID 88485327
1-(2,2-Difluorobutoxy)-2-methylpropan-2-ol
CID 88583150
4,4-Difluoro-1-(3-propan-2-yloxybutan-2-yloxy)hexane
CID 88975420

Frequently Asked Questions

What is the IUPAC name of 4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane?
The IUPAC name of 4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane (CID 88215256) is 4,4-difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane.
What is the SMILES notation for 4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane?
The canonical SMILES for 4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane is CC(C)(COC)OCCCC(C)(F)F.
What is the InChIKey of 4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane?
The InChIKey is HUFINZAJXDIIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O2/c1-9(2,8-13-4)14-7-5-6-10(3,11)12/h5-8H2,1-4H3.
What are the key properties of 4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane?
4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane has a molecular weight of 210.26 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-Difluoro-1-(1-methoxy-2-methylpropan-2-yl)oxypentane is sourced from PubChem (CID 88215256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).