(3R)-1,1,1,2,2-pentafluoro-3-methylhexane

C7H11F5 — CID 163670129

IUPAC(3R)-1,1,1,2,2-pentafluoro-3-methylhexane
SMILESCCC[C@@H](C)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5/c1-3-4-5(2)6(8,9)7(10,11)12/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJBUSVPXFDNGKSL-RXMQYKEDSA-N
MW190.15 g/mol
LogP3.62
Rot. Bonds3

About (3R)-1,1,1,2,2-pentafluoro-3-methylhexane

(3R)-1,1,1,2,2-pentafluoro-3-methylhexane (PubChem CID 163670129) has the molecular formula C7H11F5 and a molecular weight of 190.15 g/mol. Its IUPAC name is (3R)-1,1,1,2,2-pentafluoro-3-methylhexane.

Molecular Properties

Compound Name(3R)-1,1,1,2,2-pentafluoro-3-methylhexane
PubChem CID163670129
Molecular FormulaC7H11F5
Molecular Weight190.15 g/mol
Exact Mass190.08
IUPAC Name(3R)-1,1,1,2,2-pentafluoro-3-methylhexane
SMILESCCC[C@@H](C)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5/c1-3-4-5(2)6(8,9)7(10,11)12/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyJBUSVPXFDNGKSL-RXMQYKEDSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1,1,2,2-pentafluoro-3-methylhexane?
The IUPAC name of (3R)-1,1,1,2,2-pentafluoro-3-methylhexane (CID 163670129) is (3R)-1,1,1,2,2-pentafluoro-3-methylhexane.
What is the SMILES notation for (3R)-1,1,1,2,2-pentafluoro-3-methylhexane?
The canonical SMILES for (3R)-1,1,1,2,2-pentafluoro-3-methylhexane is CCC[C@@H](C)C(F)(F)C(F)(F)F.
What is the InChIKey of (3R)-1,1,1,2,2-pentafluoro-3-methylhexane?
The InChIKey is JBUSVPXFDNGKSL-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11F5/c1-3-4-5(2)6(8,9)7(10,11)12/h5H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (3R)-1,1,1,2,2-pentafluoro-3-methylhexane?
(3R)-1,1,1,2,2-pentafluoro-3-methylhexane has a molecular weight of 190.15 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1,2,2-pentafluoro-3-methylhexane is sourced from PubChem (CID 163670129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).