1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane

C9H16F2O — CID 171795307

IUPAC1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane
SMILESCOCC1(C(C)C)CC(F)(F)C1
InChIInChI=1S/C9H16F2O/c1-7(2)8(6-12-3)4-9(10,11)5-8/h7H,4-6H2,1-3H3
InChIKeyRTUBKCRXXBWUHX-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.70
Rot. Bonds3

About 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane

1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane (PubChem CID 171795307) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane
PubChem CID171795307
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane
SMILESCOCC1(C(C)C)CC(F)(F)C1
InChIInChI=1S/C9H16F2O/c1-7(2)8(6-12-3)4-9(10,11)5-8/h7H,4-6H2,1-3H3
InChIKeyRTUBKCRXXBWUHX-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(methoxymethyl)-1-propan-2-ylcyclobutane
CID 90167872
1-(methoxymethyl)-1-propan-2-ylcyclohexane
CID 70370924
3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane
CID 143973779
3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
CID 165149910
2,2-difluoro-6-[1-[1-(methoxymethyl)cyclopropyl]ethyl]-6-azaspiro[2.5]octane
CID 177009122
3,3-difluoro-1-(methoxymethyl)cyclobutane-1-carboxylic acid
CID 155943483
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
trans-(2S,5S)-1-fluoro-2,5-dimethoxy-1-(methoxymethyl)cyclopentane
CID 163986686
1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane
CID 20689593
1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane
CID 58107105
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(methoxymethyl)cyclohexane
CID 22292468
[2,2,3-trifluoro-3-(methoxymethyl)-4-(2-methylpropyl)piperazin-1-yl]methoxyboronic acid
CID 175952229

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane?
The IUPAC name of 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane (CID 171795307) is 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane.
What is the SMILES notation for 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane?
The canonical SMILES for 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane is COCC1(C(C)C)CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane?
The InChIKey is RTUBKCRXXBWUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-7(2)8(6-12-3)4-9(10,11)5-8/h7H,4-6H2,1-3H3.
What are the key properties of 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane?
1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane has a molecular weight of 178.22 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(methoxymethyl)-3-propan-2-ylcyclobutane is sourced from PubChem (CID 171795307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).