3-(difluoromethylidene)-1-methoxy-4-methylnonane

C12H22F2O — CID 134583218

IUPAC3-(difluoromethylidene)-1-methoxy-4-methylnonane
SMILESCCCCCC(C)C(CCOC)=C(F)F
InChIInChI=1S/C12H22F2O/c1-4-5-6-7-10(2)11(12(13)14)8-9-15-3/h10H,4-9H2,1-3H3
InChIKeyYFHPKJIKYWKBAA-UHFFFAOYSA-N
MW220.30 g/mol
LogP4.39
Rot. Bonds8

About 3-(difluoromethylidene)-1-methoxy-4-methylnonane

3-(difluoromethylidene)-1-methoxy-4-methylnonane (PubChem CID 134583218) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1-methoxy-4-methylnonane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1-methoxy-4-methylnonane
PubChem CID134583218
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name3-(difluoromethylidene)-1-methoxy-4-methylnonane
SMILESCCCCCC(C)C(CCOC)=C(F)F
InChIInChI=1S/C12H22F2O/c1-4-5-6-7-10(2)11(12(13)14)8-9-15-3/h10H,4-9H2,1-3H3
InChIKeyYFHPKJIKYWKBAA-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(difluoromethylidene)-1-methoxy-4-methylnonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane
CID 91581767
3-(Difluoromethylidene)-1-methoxy-4-methylhexane
CID 144519455
1,1,1-Trifluoro-4-(1-methoxyethyl)-3-methylideneoctane
CID 169848543
(3R,5R)-3-(methoxymethyl)-2-methyl-5-(trifluoromethyl)hept-1-ene
CID 169848737
(4R)-1,1,1-trifluoro-4-(methoxymethyl)-3-methylideneoctane
CID 169848762
(4S,5S)-4-(methoxymethyl)-2-methyl-5-(trifluoromethyl)oct-1-ene
CID 169849119
(4R)-5,5-difluoro-4-(methoxymethyl)-2-methyloct-1-ene
CID 169849120
6-Fluoro-4-(methoxymethyl)-3-methylideneoctane
CID 169849395
(3R,4S)-3-(methoxymethyl)-2-methyl-4-(trifluoromethyl)hept-1-ene
CID 169851348
6,6-Difluoro-4-(methoxymethyl)-2-methyloct-1-ene
CID 169851658
(4R,6R)-6-fluoro-4-(methoxymethyl)-3-methylideneoctane
CID 169858396

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1-methoxy-4-methylnonane?
The IUPAC name of 3-(difluoromethylidene)-1-methoxy-4-methylnonane (CID 134583218) is 3-(difluoromethylidene)-1-methoxy-4-methylnonane.
What is the SMILES notation for 3-(difluoromethylidene)-1-methoxy-4-methylnonane?
The canonical SMILES for 3-(difluoromethylidene)-1-methoxy-4-methylnonane is CCCCCC(C)C(CCOC)=C(F)F.
What is the InChIKey of 3-(difluoromethylidene)-1-methoxy-4-methylnonane?
The InChIKey is YFHPKJIKYWKBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O/c1-4-5-6-7-10(2)11(12(13)14)8-9-15-3/h10H,4-9H2,1-3H3.
What are the key properties of 3-(difluoromethylidene)-1-methoxy-4-methylnonane?
3-(difluoromethylidene)-1-methoxy-4-methylnonane has a molecular weight of 220.30 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1-methoxy-4-methylnonane is sourced from PubChem (CID 134583218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).