(3R)-5,5-difluoro-2,3-dimethylheptane

C9H18F2 — CID 118133528

IUPAC(3R)-5,5-difluoro-2,3-dimethylheptane
SMILESCCC(F)(F)C[C@@H](C)C(C)C
InChIInChI=1S/C9H18F2/c1-5-9(10,11)6-8(4)7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyCRWYVMAENMOLRY-MRVPVSSYSA-N
MW164.24 g/mol
LogP3.71
Rot. Bonds4

About (3R)-5,5-difluoro-2,3-dimethylheptane

(3R)-5,5-difluoro-2,3-dimethylheptane (PubChem CID 118133528) has the molecular formula C9H18F2 and a molecular weight of 164.24 g/mol. Its IUPAC name is (3R)-5,5-difluoro-2,3-dimethylheptane.

Molecular Properties

Compound Name(3R)-5,5-difluoro-2,3-dimethylheptane
PubChem CID118133528
Molecular FormulaC9H18F2
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name(3R)-5,5-difluoro-2,3-dimethylheptane
SMILESCCC(F)(F)C[C@@H](C)C(C)C
InChIInChI=1S/C9H18F2/c1-5-9(10,11)6-8(4)7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyCRWYVMAENMOLRY-MRVPVSSYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3R)-5,5-difluoro-2,3-dimethylheptane?
The IUPAC name of (3R)-5,5-difluoro-2,3-dimethylheptane (CID 118133528) is (3R)-5,5-difluoro-2,3-dimethylheptane.
What is the SMILES notation for (3R)-5,5-difluoro-2,3-dimethylheptane?
The canonical SMILES for (3R)-5,5-difluoro-2,3-dimethylheptane is CCC(F)(F)C[C@@H](C)C(C)C.
What is the InChIKey of (3R)-5,5-difluoro-2,3-dimethylheptane?
The InChIKey is CRWYVMAENMOLRY-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18F2/c1-5-9(10,11)6-8(4)7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of (3R)-5,5-difluoro-2,3-dimethylheptane?
(3R)-5,5-difluoro-2,3-dimethylheptane has a molecular weight of 164.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,5-difluoro-2,3-dimethylheptane is sourced from PubChem (CID 118133528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).