1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane

C10H19FO — CID 121387179

IUPAC1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane
SMILESCC(C)OCC1CCC(C)(F)C1
InChIInChI=1S/C10H19FO/c1-8(2)12-7-9-4-5-10(3,11)6-9/h8-9H,4-7H2,1-3H3
InChIKeyNFOKJGCZIBDEFM-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.94
Rot. Bonds3

About 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane

1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane (PubChem CID 121387179) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane.

Molecular Properties

Compound Name1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane
PubChem CID121387179
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane
SMILESCC(C)OCC1CCC(C)(F)C1
InChIInChI=1S/C10H19FO/c1-8(2)12-7-9-4-5-10(3,11)6-9/h8-9H,4-7H2,1-3H3
InChIKeyNFOKJGCZIBDEFM-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787017
5,5-difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine
CID 177126248
(4-fluoro-4-methylcyclohexyl)methanol
CID 84649094
O-[(3,3-difluorocyclopentyl)methyl]hydroxylamine
CID 126974531
1,1,2,2-tetramethyl-3-(propan-2-yloxymethyl)cyclopropane
CID 153422434
(4aS,8aS)-6,6-difluoro-4-[1-[4-(propan-2-yloxymethyl)cyclohexyl]piperidin-4-yl]-3,4a,5,7,8,8a-hexahydro-2H-benzo[b][1,4]oxazine
CID 152533217
1-(1,1-difluoroethyl)-1-(2-methylpropyl)cyclopropane;1,1-difluoro-4-(2-methylpropyl)cyclohexane;1,1-difluoro-2-(2-methylpropyl)cyclopropane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclobutane;1-fluoro-1-methyl-3-(2-methylpropyl)cyclopentane
CID 158610289
2-(4-fluoro-4-methylcyclohexyl)ethanamine
CID 84650939
5-(4-fluoro-4-methylcyclohexyl)hexan-2-one
CID 166775882

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane?
The IUPAC name of 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane (CID 121387179) is 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane.
What is the SMILES notation for 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane?
The canonical SMILES for 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane is CC(C)OCC1CCC(C)(F)C1.
What is the InChIKey of 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane?
The InChIKey is NFOKJGCZIBDEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-8(2)12-7-9-4-5-10(3,11)6-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane?
1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane has a molecular weight of 174.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methyl-3-(propan-2-yloxymethyl)cyclopentane is sourced from PubChem (CID 121387179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).