1,1-difluoro-3-(trifluoromethyl)cyclobutane

C5H5F5 — CID 149228087

IUPAC1,1-difluoro-3-(trifluoromethyl)cyclobutane
SMILESFC1(F)CC(C(F)(F)F)C1
InChIInChI=1S/C5H5F5/c6-4(7)1-3(2-4)5(8,9)10/h3H,1-2H2
InChIKeyXJTMUZRHNIUZES-UHFFFAOYSA-N
MW160.08 g/mol
LogP2.59
Rot. Bonds

About 1,1-difluoro-3-(trifluoromethyl)cyclobutane

1,1-difluoro-3-(trifluoromethyl)cyclobutane (PubChem CID 149228087) has the molecular formula C5H5F5 and a molecular weight of 160.08 g/mol. Its IUPAC name is 1,1-difluoro-3-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-(trifluoromethyl)cyclobutane
PubChem CID149228087
Molecular FormulaC5H5F5
Molecular Weight160.08 g/mol
Exact Mass160.03
IUPAC Name1,1-difluoro-3-(trifluoromethyl)cyclobutane
SMILESFC1(F)CC(C(F)(F)F)C1
InChIInChI=1S/C5H5F5/c6-4(7)1-3(2-4)5(8,9)10/h3H,1-2H2
InChIKeyXJTMUZRHNIUZES-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.08
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-1,1-difluoro-5-(trifluoromethyl)cyclohexane
CID 121407311
cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane
CID 140722936
trans-(3S,5S)-1,1-difluoro-3-(methylsulfanylmethyl)-5-(trifluoromethyl)cyclohexane
CID 139292427
6-(trifluoromethyl)spiro[3.3]heptan-2-ol
CID 167729964
1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane
CID 146177848
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
1,1-difluoro-3-(2-methylpentan-2-yl)cyclobutane
CID 126762633
2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid
CID 118062279
[2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine
CID 167715875
3-tert-butyl-1,1-difluorocyclopentane
CID 59458655
2,5-bis(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 89159384
4-(trifluoromethyl)pyrazolidine
CID 123549529

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(trifluoromethyl)cyclobutane?
The IUPAC name of 1,1-difluoro-3-(trifluoromethyl)cyclobutane (CID 149228087) is 1,1-difluoro-3-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1,1-difluoro-3-(trifluoromethyl)cyclobutane is FC1(F)CC(C(F)(F)F)C1.
What is the InChIKey of 1,1-difluoro-3-(trifluoromethyl)cyclobutane?
The InChIKey is XJTMUZRHNIUZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5/c6-4(7)1-3(2-4)5(8,9)10/h3H,1-2H2.
What are the key properties of 1,1-difluoro-3-(trifluoromethyl)cyclobutane?
1,1-difluoro-3-(trifluoromethyl)cyclobutane has a molecular weight of 160.08 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 149228087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).