1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane

C10H18F2 — CID 146177848

IUPAC1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane
SMILESCCC(C)(CC)C1CC(F)(F)C1
InChIInChI=1S/C10H18F2/c1-4-9(3,5-2)8-6-10(11,12)7-8/h8H,4-7H2,1-3H3
InChIKeyHWUXEJKSIQEBSH-UHFFFAOYSA-N
MW176.25 g/mol
LogP3.86
Rot. Bonds3

About 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane

1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane (PubChem CID 146177848) has the molecular formula C10H18F2 and a molecular weight of 176.25 g/mol. Its IUPAC name is 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane
PubChem CID146177848
Molecular FormulaC10H18F2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane
SMILESCCC(C)(CC)C1CC(F)(F)C1
InChIInChI=1S/C10H18F2/c1-4-9(3,5-2)8-6-10(11,12)7-8/h8H,4-7H2,1-3H3
InChIKeyHWUXEJKSIQEBSH-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-difluoro-3-(2-methylpentan-2-yl)cyclobutane
CID 126762633
3-tert-butyl-1,1-difluorocyclobutane;1-fluoro-3-methylcyclobutane;propane
CID 161305433
1,1-difluoro-3-(trifluoromethyl)cyclobutane
CID 149228087
3-methylpentan-3-ylcycloundecane
CID 123467319
3-ethyl-1,1-difluoro-5-(trifluoromethyl)cyclohexane
CID 121407311
2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid
CID 118062279
3-ethyl-1,1-difluorocyclobutane
CID 67229999
3-tert-butyl-1,1-difluorocyclopentane
CID 59458655
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
CID 158523414
3-[5-(3,3-difluorocyclobutyl)-2,5-dimethylhexan-2-yl]-1-methylpyrrolidine
CID 139475194
4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol
CID 143129669
cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane
CID 140722936

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane?
The IUPAC name of 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane (CID 146177848) is 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane?
The canonical SMILES for 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane is CCC(C)(CC)C1CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane?
The InChIKey is HWUXEJKSIQEBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2/c1-4-9(3,5-2)8-6-10(11,12)7-8/h8H,4-7H2,1-3H3.
What are the key properties of 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane?
1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane has a molecular weight of 176.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane is sourced from PubChem (CID 146177848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).