1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane

C10H16F2O — CID 167326750

IUPAC1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane
SMILESCC(C)C12CC(COC(F)F)(C1)C2
InChIInChI=1S/C10H16F2O/c1-7(2)10-3-9(4-10,5-10)6-13-8(11)12/h7-8H,3-6H2,1-2H3
InChIKeyLOMATTMIOQKPLI-UHFFFAOYSA-N
MW190.23 g/mol
LogP3.05
Rot. Bonds4

About 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane

1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane (PubChem CID 167326750) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane
PubChem CID167326750
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane
SMILESCC(C)C12CC(COC(F)F)(C1)C2
InChIInChI=1S/C10H16F2O/c1-7(2)10-3-9(4-10,5-10)6-13-8(11)12/h7-8H,3-6H2,1-2H3
InChIKeyLOMATTMIOQKPLI-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane
CID 175331863
1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
CID 172528840
1,3,5,7-tetra(propan-2-yl)adamantane
CID 11381171
N-methyl-N-[(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methyl]-2-propan-2-yloxyethanamine
CID 170680553
N-[1-(difluoromethoxymethyl)cyclobutyl]formamide
CID 144845240
1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane
CID 176984621
1,4-di(propan-2-yl)bicyclo[2.2.1]heptane;1,4-di(propan-2-yl)bicyclo[2.2.2]octane
CID 159542444
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 167326775
[1-(difluoromethoxymethyl)cyclopentyl]methanamine
CID 130194759
4-(difluoromethoxymethyl)thian-4-amine
CID 84720898
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanol
CID 176865139
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanamine
CID 138747101

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane?
The IUPAC name of 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane (CID 167326750) is 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane.
What is the SMILES notation for 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane?
The canonical SMILES for 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane is CC(C)C12CC(COC(F)F)(C1)C2.
What is the InChIKey of 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane?
The InChIKey is LOMATTMIOQKPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-7(2)10-3-9(4-10,5-10)6-13-8(11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane?
1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane has a molecular weight of 190.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane is sourced from PubChem (CID 167326750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).