(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane

C9H14F2 — CID 171796329

IUPAC(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESCC(C)[C@@]12CC1CC(F)(F)C2
InChIInChI=1S/C9H14F2/c1-6(2)8-3-7(8)4-9(10,11)5-8/h6-7H,3-5H2,1-2H3/t7?,8-/m0/s1
InChIKeyJLZKSWUAOJGVRE-MQWKRIRWSA-N
MW160.21 g/mol
LogP3.08
Rot. Bonds1

About (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane

(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane (PubChem CID 171796329) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane
PubChem CID171796329
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane
SMILESCC(C)[C@@]12CC1CC(F)(F)C2
InChIInChI=1S/C9H14F2/c1-6(2)8-3-7(8)4-9(10,11)5-8/h6-7H,3-5H2,1-2H3/t7?,8-/m0/s1
InChIKeyJLZKSWUAOJGVRE-MQWKRIRWSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 142521754
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 95565705
1,1,3,3-tetrafluoro-5-methylcyclohexane
CID 148795454
1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol
CID 138736701
(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane
CID 166500332
molecular hydrogen;1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 144912446
cumene;1-propan-2-ylbicyclo[1.1.0]butane
CID 176998151
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
1-ethyl-2,2-difluoro-1-propan-2-ylcyclopropane
CID 89275697

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane?
The IUPAC name of (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane (CID 171796329) is (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane?
The canonical SMILES for (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane is CC(C)[C@@]12CC1CC(F)(F)C2.
What is the InChIKey of (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane?
The InChIKey is JLZKSWUAOJGVRE-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H14F2/c1-6(2)8-3-7(8)4-9(10,11)5-8/h6-7H,3-5H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane?
(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane has a molecular weight of 160.21 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane is sourced from PubChem (CID 171796329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).