6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane

C13H18F4 — CID 178021651

IUPAC6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane
SMILESFC1(F)CCC(C2CC3(C2)CC(F)(F)C3)CC1
InChIInChI=1S/C13H18F4/c14-12(15)3-1-9(2-4-12)10-5-11(6-10)7-13(16,17)8-11/h9-10H,1-8H2
InChIKeyHJBUYPRFTUOCNC-UHFFFAOYSA-N
MW250.28 g/mol
LogP4.64
Rot. Bonds1

About 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane

6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane (PubChem CID 178021651) has the molecular formula C13H18F4 and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane.

Molecular Properties

Compound Name6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane
PubChem CID178021651
Molecular FormulaC13H18F4
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane
SMILESFC1(F)CCC(C2CC3(C2)CC(F)(F)C3)CC1
InChIInChI=1S/C13H18F4/c14-12(15)3-1-9(2-4-12)10-5-11(6-10)7-13(16,17)8-11/h9-10H,1-8H2
InChIKeyHJBUYPRFTUOCNC-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 162534781
6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene
CID 45090704
3-cyclopropyl-1,1-difluorocyclobutane
CID 157034703
2,2-difluorospiro[3.3]heptan-6-amine
CID 54595506
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane
CID 123331321
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane
CID 54567710
7-ethenyl-2,2-difluorospiro[3.5]nonane
CID 178020956
N-(2,2-difluorospiro[3.3]heptan-6-yl)-2-methylpropanamide
CID 166170306
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
3-cyclopropyl-1,1-difluorocyclohexane
CID 174758607

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane?
The IUPAC name of 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane (CID 178021651) is 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane.
What is the SMILES notation for 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane?
The canonical SMILES for 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane is FC1(F)CCC(C2CC3(C2)CC(F)(F)C3)CC1.
What is the InChIKey of 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane?
The InChIKey is HJBUYPRFTUOCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4/c14-12(15)3-1-9(2-4-12)10-5-11(6-10)7-13(16,17)8-11/h9-10H,1-8H2.
What are the key properties of 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane?
6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane has a molecular weight of 250.28 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane is sourced from PubChem (CID 178021651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).