1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane

C13H23F3 — CID 138526002

IUPAC1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane
SMILESCCC(C)(C)C(C)(C)C(F)(F)C1(F)CC1C
InChIInChI=1S/C13H23F3/c1-7-10(3,4)11(5,6)13(15,16)12(14)8-9(12)2/h9H,7-8H2,1-6H3
InChIKeyHCWSVXOSDLRNQQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.83
Rot. Bonds4

About 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane

1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane (PubChem CID 138526002) has the molecular formula C13H23F3 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane.

Molecular Properties

Compound Name1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane
PubChem CID138526002
Molecular FormulaC13H23F3
Molecular Weight236.32 g/mol
Exact Mass236.18
IUPAC Name1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane
SMILESCCC(C)(C)C(C)(C)C(F)(F)C1(F)CC1C
InChIInChI=1S/C13H23F3/c1-7-10(3,4)11(5,6)13(15,16)12(14)8-9(12)2/h9H,7-8H2,1-6H3
InChIKeyHCWSVXOSDLRNQQ-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,4,4,5,5-hexamethylheptane
CID 22899431
ethane;2-fluoro-2-methylbutane
CID 143329956
1-(1,1-difluoropropyl)-1,2-difluorocyclopropane
CID 118374927
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
CID 166923633
1,1-difluoro-3-(3-methylpentan-3-yl)cyclobutane
CID 146177848
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
3-(1,1-difluoroethyl)-4-ethyl-1,2,2,3-tetrafluoro-1-methylcyclopentane
CID 58957750
2-ethyl-1,1,2-trifluoro-3-methylcyclobutane
CID 162585247
1-(2,3-dimethylpentan-3-yl)-1,2-dimethylcyclopropane
CID 123741342
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]heptanyl)propan-2-ol;3-methyl-3-(trifluoromethyl)pentane
CID 91018341

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane?
The IUPAC name of 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane (CID 138526002) is 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane.
What is the SMILES notation for 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane?
The canonical SMILES for 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane is CCC(C)(C)C(C)(C)C(F)(F)C1(F)CC1C.
What is the InChIKey of 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane?
The InChIKey is HCWSVXOSDLRNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3/c1-7-10(3,4)11(5,6)13(15,16)12(14)8-9(12)2/h9H,7-8H2,1-6H3.
What are the key properties of 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane?
1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane has a molecular weight of 236.32 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2,2,3,3-tetramethylpentyl)-1-fluoro-2-methylcyclopropane is sourced from PubChem (CID 138526002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).