(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane

C8H13F — CID 166500332

IUPAC(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane
SMILESCC(C)[C@@]12C[C@@H](F)[C@@H]1C2
InChIInChI=1S/C8H13F/c1-5(2)8-3-6(8)7(9)4-8/h5-7H,3-4H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyYZMWKASBCWYZJC-XLPZGREQSA-N
MW128.19 g/mol
LogP2.39
Rot. Bonds1

About (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane

(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane (PubChem CID 166500332) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane
PubChem CID166500332
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane
SMILESCC(C)[C@@]12C[C@@H](F)[C@@H]1C2
InChIInChI=1S/C8H13F/c1-5(2)8-3-6(8)7(9)4-8/h5-7H,3-4H2,1-2H3/t6-,7+,8+/m0/s1
InChIKeyYZMWKASBCWYZJC-XLPZGREQSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 91753443
(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-amine
CID 130846669
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane
CID 166820569
1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
CID 143295904
(1S)-3,3-difluoro-1-propan-2-ylbicyclo[3.1.0]hexane
CID 171796329
(1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 57468135
(4S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 59390116
(1S,4S,5R)-3,3-dihydroperoxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 125475030
(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
[(1R,5R)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] 2,2-dimethylbutanoate
CID 91867225

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane?
The IUPAC name of (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane (CID 166500332) is (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane.
What is the SMILES notation for (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane?
The canonical SMILES for (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane is CC(C)[C@@]12C[C@@H](F)[C@@H]1C2.
What is the InChIKey of (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane?
The InChIKey is YZMWKASBCWYZJC-XLPZGREQSA-N. The full InChI is InChI=1S/C8H13F/c1-5(2)8-3-6(8)7(9)4-8/h5-7H,3-4H2,1-2H3/t6-,7+,8+/m0/s1.
What are the key properties of (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane?
(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane has a molecular weight of 128.19 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane is sourced from PubChem (CID 166500332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).