2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane

C12H20F2 — CID 153288356

IUPAC2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane
SMILESCC(C)C12CCC(CC1(F)F)C2(C)C
InChIInChI=1S/C12H20F2/c1-8(2)11-6-5-9(10(11,3)4)7-12(11,13)14/h8-9H,5-7H2,1-4H3
InChIKeyYXPKVVFYPGYHTM-UHFFFAOYSA-N
MW202.29 g/mol
LogP4.10
Rot. Bonds1

About 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane

2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane (PubChem CID 153288356) has the molecular formula C12H20F2 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane
PubChem CID153288356
Molecular FormulaC12H20F2
Molecular Weight202.29 g/mol
Exact Mass202.15
IUPAC Name2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane
SMILESCC(C)C12CCC(CC1(F)F)C2(C)C
InChIInChI=1S/C12H20F2/c1-8(2)11-6-5-9(10(11,3)4)7-12(11,13)14/h8-9H,5-7H2,1-4H3
InChIKeyYXPKVVFYPGYHTM-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane
CID 153310705
2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
CID 21014915
(1R,2R,4S)-2-[(2R)-2-hydroxypropyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10878485
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
1-tert-butyl-5,5-dimethylbicyclo[2.1.1]hexane
CID 166031080
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
3-cyclopropyl-1,1-difluorocyclobutane
CID 157034703
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 98573353
1-fluorobicyclo[2.2.0]hexane
CID 91806231
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane?
The IUPAC name of 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane (CID 153288356) is 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane is CC(C)C12CCC(CC1(F)F)C2(C)C.
What is the InChIKey of 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane?
The InChIKey is YXPKVVFYPGYHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2/c1-8(2)11-6-5-9(10(11,3)4)7-12(11,13)14/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane?
2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane has a molecular weight of 202.29 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 153288356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).