1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane

C9H16F2O — CID 170577514

IUPAC1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane
SMILESCOC1(C(C)C)CCCC1(F)F
InChIInChI=1S/C9H16F2O/c1-7(2)8(12-3)5-4-6-9(8,10)11/h7H,4-6H2,1-3H3
InChIKeyCZQBHUNBJFIOKB-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.85
Rot. Bonds2

About 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane

1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane (PubChem CID 170577514) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane
PubChem CID170577514
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane
SMILESCOC1(C(C)C)CCCC1(F)F
InChIInChI=1S/C9H16F2O/c1-7(2)8(12-3)5-4-6-9(8,10)11/h7H,4-6H2,1-3H3
InChIKeyCZQBHUNBJFIOKB-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane 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-(Difluoromethoxy)-1-ethylcyclopentane
CID 69024555
1,1-Difluoro-4-methoxy-4-propan-2-ylcyclohexane
CID 118102424
4-(2,2-Difluoropropyl)-2,2-dimethyloxolane
CID 143114832
1,1-Difluoro-4-methoxy-7-methyl-4-propyloctane
CID 145189890
(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclopentane
CID 148211244
2-(2,2,2-Trifluoroethoxy)propan-2-ylcyclopentane
CID 148832596
1,1,1-Trifluoro-4-methoxy-4,5-dimethyltridecane
CID 149955913
1,1,1-Trifluoro-4-(2-methoxypropan-2-yl)dodecane
CID 151935078
1-Propan-2-yl-1-(trifluoromethoxy)cyclopentane
CID 154985432
2-(2,2,2-Trifluoroethoxy)butan-2-ylcyclopentane
CID 157810504
(1,1,1-Trifluoro-2-propoxypropan-2-yl)cyclopentane
CID 158526199
[1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]cyclopentane
CID 159320339

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane?
The IUPAC name of 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane (CID 170577514) is 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane.
What is the SMILES notation for 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane?
The canonical SMILES for 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane is COC1(C(C)C)CCCC1(F)F.
What is the InChIKey of 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane?
The InChIKey is CZQBHUNBJFIOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-7(2)8(12-3)5-4-6-9(8,10)11/h7H,4-6H2,1-3H3.
What are the key properties of 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane?
1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane has a molecular weight of 178.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methoxy-2-propan-2-ylcyclopentane is sourced from PubChem (CID 170577514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).