(1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane

C8H12F2 — CID 143846852

IUPAC(1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane
SMILESCC1CC[C@@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C8H12F2/c1-5-2-3-6-7(4-5)8(6,9)10/h5-7H,2-4H2,1H3/t5?,6-,7+/m1/s1
InChIKeyHXBGFMYCBVSVPR-FWPZAIACSA-N
MW146.18 g/mol
LogP2.69
Rot. Bonds

About (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane

(1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane (PubChem CID 143846852) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane
PubChem CID143846852
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name(1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane
SMILESCC1CC[C@@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C8H12F2/c1-5-2-3-6-7(4-5)8(6,9)10/h5-7H,2-4H2,1H3/t5?,6-,7+/m1/s1
InChIKeyHXBGFMYCBVSVPR-FWPZAIACSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane?
The IUPAC name of (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane (CID 143846852) is (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane is CC1CC[C@@H]2[C@H](C1)C2(F)F.
What is the InChIKey of (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane?
The InChIKey is HXBGFMYCBVSVPR-FWPZAIACSA-N. The full InChI is InChI=1S/C8H12F2/c1-5-2-3-6-7(4-5)8(6,9)10/h5-7H,2-4H2,1H3/t5?,6-,7+/m1/s1.
What are the key properties of (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane?
(1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane has a molecular weight of 146.18 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 143846852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).