3,3-difluoro-2-methylnonane

C10H20F2 — CID 121443889

IUPAC3,3-difluoro-2-methylnonane
SMILESCCCCCCC(F)(F)C(C)C
InChIInChI=1S/C10H20F2/c1-4-5-6-7-8-10(11,12)9(2)3/h9H,4-8H2,1-3H3
InChIKeyRZOIVKYCSMMWBC-UHFFFAOYSA-N
MW178.27 g/mol
LogP4.25
Rot. Bonds6

About 3,3-difluoro-2-methylnonane

3,3-difluoro-2-methylnonane (PubChem CID 121443889) has the molecular formula C10H20F2 and a molecular weight of 178.27 g/mol. Its IUPAC name is 3,3-difluoro-2-methylnonane.

Molecular Properties

Compound Name3,3-difluoro-2-methylnonane
PubChem CID121443889
Molecular FormulaC10H20F2
Molecular Weight178.27 g/mol
Exact Mass178.15
IUPAC Name3,3-difluoro-2-methylnonane
SMILESCCCCCCC(F)(F)C(C)C
InChIInChI=1S/C10H20F2/c1-4-5-6-7-8-10(11,12)9(2)3/h9H,4-8H2,1-3H3
InChIKeyRZOIVKYCSMMWBC-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-2-methylheptadecane
CID 22951834
10,10-di(propan-2-yl)octacosane
CID 152510996
1,1,1-trifluorohexadecane
CID 15685316
2,3,3-trimethyloctadecane
CID 90966938
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
3,3-diethyl-2-methyldodecane
CID 151072312
(2-methyl-3-propan-2-ylnonan-3-yl)phosphane
CID 118892700
6-methyl-6-propan-2-ylundecane
CID 87930599
9-fluoropentacosan-9-ol
CID 139794548
1,1,1,2,2-pentafluorononadecane
CID 98452406
5-ethyl-5-propan-2-yltetradecane
CID 123207557
3-ethyl-2,3-dimethylnonane
CID 57490996

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylnonane?
The IUPAC name of 3,3-difluoro-2-methylnonane (CID 121443889) is 3,3-difluoro-2-methylnonane.
What is the SMILES notation for 3,3-difluoro-2-methylnonane?
The canonical SMILES for 3,3-difluoro-2-methylnonane is CCCCCCC(F)(F)C(C)C.
What is the InChIKey of 3,3-difluoro-2-methylnonane?
The InChIKey is RZOIVKYCSMMWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2/c1-4-5-6-7-8-10(11,12)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 3,3-difluoro-2-methylnonane?
3,3-difluoro-2-methylnonane has a molecular weight of 178.27 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylnonane is sourced from PubChem (CID 121443889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).