1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane

C9H15FO — CID 172528840

IUPAC1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
SMILESCC(C)OCC12CC(F)(C1)C2
InChIInChI=1S/C9H15FO/c1-7(2)11-6-8-3-9(10,4-8)5-8/h7H,3-6H2,1-2H3
InChIKeyGRSKVBIAIDRAMR-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.30
Rot. Bonds3

About 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane

1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane (PubChem CID 172528840) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
PubChem CID172528840
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
SMILESCC(C)OCC12CC(F)(C1)C2
InChIInChI=1S/C9H15FO/c1-7(2)11-6-8-3-9(10,4-8)5-8/h7H,3-6H2,1-2H3
InChIKeyGRSKVBIAIDRAMR-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
CID 170521217
1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 177330683
1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane
CID 167326750
1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 177009704
[5,5-difluoro-6a-(propan-2-yloxymethyl)-2,3,4,6-tetrahydro-1H-pentalen-3a-yl]methanol
CID 175637073
1,1-bis(propan-2-yloxymethyl)cyclobutane
CID 141062345
O-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl] methylsulfanylmethanethioate
CID 170550841
(8aS)-7,7-difluoro-8a-(propan-2-yloxymethyl)-1,2,3,5,6,8-hexahydroindolizine
CID 171769711
3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 112682700
1-(bromomethyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 65007526
1-ethyl-1-(propan-2-yloxymethyl)cyclopropane
CID 157344699
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
CID 147142299

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane?
The IUPAC name of 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane (CID 172528840) is 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane is CC(C)OCC12CC(F)(C1)C2.
What is the InChIKey of 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane?
The InChIKey is GRSKVBIAIDRAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-7(2)11-6-8-3-9(10,4-8)5-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane?
1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane has a molecular weight of 158.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 172528840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).