1,1-difluoro-4-methylnon-2-yne

C10H16F2 — CID 146503228

IUPAC1,1-difluoro-4-methylnon-2-yne
SMILESCCCCCC(C)C#CC(F)F
InChIInChI=1S/C10H16F2/c1-3-4-5-6-9(2)7-8-10(11)12/h9-10H,3-6H2,1-2H3
InChIKeyQBUKLCWWKGUQJQ-UHFFFAOYSA-N
MW174.23 g/mol
LogP3.47
Rot. Bonds4

About 1,1-difluoro-4-methylnon-2-yne

1,1-difluoro-4-methylnon-2-yne (PubChem CID 146503228) has the molecular formula C10H16F2 and a molecular weight of 174.23 g/mol. Its IUPAC name is 1,1-difluoro-4-methylnon-2-yne.

Molecular Properties

Compound Name1,1-difluoro-4-methylnon-2-yne
PubChem CID146503228
Molecular FormulaC10H16F2
Molecular Weight174.23 g/mol
Exact Mass174.12
IUPAC Name1,1-difluoro-4-methylnon-2-yne
SMILESCCCCCC(C)C#CC(F)F
InChIInChI=1S/C10H16F2/c1-3-4-5-6-9(2)7-8-10(11)12/h9-10H,3-6H2,1-2H3
InChIKeyQBUKLCWWKGUQJQ-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 170854908
CID 170854908
6,6-Difluoro-2-methyloctadec-7-yne
CID 10380087
9,9-Difluoro-2-methyloctadec-7-yne
CID 11779584
1,1,1-Trifluoro-2-methyloctane
CID 12176695
1,1-Difluoro-2-methylheptane
CID 23592394
1,1,1-Trifluoro-10-methylundecane
CID 57090920
5,5-Difluoro-2,10-dimethylundecane
CID 57846683
3,3-Difluoro-2,9-dimethyldecane
CID 58005105
4,4-Difluoro-2,7-dimethyloctane
CID 58100040
5,5-Difluoro-2,8-dimethylnonane
CID 58574568
1,1,1-Trifluoro-2-methyldecane
CID 59317478
3,3-Difluoro-2,6-dimethylheptane
CID 59554053

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methylnon-2-yne?
The IUPAC name of 1,1-difluoro-4-methylnon-2-yne (CID 146503228) is 1,1-difluoro-4-methylnon-2-yne.
What is the SMILES notation for 1,1-difluoro-4-methylnon-2-yne?
The canonical SMILES for 1,1-difluoro-4-methylnon-2-yne is CCCCCC(C)C#CC(F)F.
What is the InChIKey of 1,1-difluoro-4-methylnon-2-yne?
The InChIKey is QBUKLCWWKGUQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2/c1-3-4-5-6-9(2)7-8-10(11)12/h9-10H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-4-methylnon-2-yne?
1,1-difluoro-4-methylnon-2-yne has a molecular weight of 174.23 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylnon-2-yne is sourced from PubChem (CID 146503228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).