(3R)-1,1-difluoro-3-methyl-4-methylidenehexane

C8H14F2 — CID 146208703

IUPAC(3R)-1,1-difluoro-3-methyl-4-methylidenehexane
SMILESC=C(CC)[C@H](C)CC(F)F
InChIInChI=1S/C8H14F2/c1-4-6(2)7(3)5-8(9)10/h7-8H,2,4-5H2,1,3H3/t7-/m1/s1
InChIKeyWGRGZSVTZHRKIH-SSDOTTSWSA-N
MW148.20 g/mol
LogP3.24
Rot. Bonds4

About (3R)-1,1-difluoro-3-methyl-4-methylidenehexane

(3R)-1,1-difluoro-3-methyl-4-methylidenehexane (PubChem CID 146208703) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is (3R)-1,1-difluoro-3-methyl-4-methylidenehexane.

Molecular Properties

Compound Name(3R)-1,1-difluoro-3-methyl-4-methylidenehexane
PubChem CID146208703
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name(3R)-1,1-difluoro-3-methyl-4-methylidenehexane
SMILESC=C(CC)[C@H](C)CC(F)F
InChIInChI=1S/C8H14F2/c1-4-6(2)7(3)5-8(9)10/h7-8H,2,4-5H2,1,3H3/t7-/m1/s1
InChIKeyWGRGZSVTZHRKIH-SSDOTTSWSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-difluoro-3-methyl-4-methylidenehexane?
The IUPAC name of (3R)-1,1-difluoro-3-methyl-4-methylidenehexane (CID 146208703) is (3R)-1,1-difluoro-3-methyl-4-methylidenehexane.
What is the SMILES notation for (3R)-1,1-difluoro-3-methyl-4-methylidenehexane?
The canonical SMILES for (3R)-1,1-difluoro-3-methyl-4-methylidenehexane is C=C(CC)[C@H](C)CC(F)F.
What is the InChIKey of (3R)-1,1-difluoro-3-methyl-4-methylidenehexane?
The InChIKey is WGRGZSVTZHRKIH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14F2/c1-4-6(2)7(3)5-8(9)10/h7-8H,2,4-5H2,1,3H3/t7-/m1/s1.
What are the key properties of (3R)-1,1-difluoro-3-methyl-4-methylidenehexane?
(3R)-1,1-difluoro-3-methyl-4-methylidenehexane has a molecular weight of 148.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-difluoro-3-methyl-4-methylidenehexane is sourced from PubChem (CID 146208703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).