7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine

C14H23F2N — CID 130243324

IUPAC7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
SMILESC=CC(F)C=C(F)C(=C)CC(C)CCCNC
InChIInChI=1S/C14H23F2N/c1-5-13(15)10-14(16)12(3)9-11(2)7-6-8-17-4/h5,10-11,13,17H,1,3,6-9H2,2,4H3
InChIKeyDJUWVVZLZIRRNN-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.95
Rot. Bonds9

About 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine

7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine (PubChem CID 130243324) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine.

Molecular Properties

Compound Name7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
PubChem CID130243324
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
SMILESC=CC(F)C=C(F)C(=C)CC(C)CCCNC
InChIInChI=1S/C14H23F2N/c1-5-13(15)10-14(16)12(3)9-11(2)7-6-8-17-4/h5,10-11,13,17H,1,3,6-9H2,2,4H3
InChIKeyDJUWVVZLZIRRNN-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine?
The IUPAC name of 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine (CID 130243324) is 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine.
What is the SMILES notation for 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine?
The canonical SMILES for 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine is C=CC(F)C=C(F)C(=C)CC(C)CCCNC.
What is the InChIKey of 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine?
The InChIKey is DJUWVVZLZIRRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c1-5-13(15)10-14(16)12(3)9-11(2)7-6-8-17-4/h5,10-11,13,17H,1,3,6-9H2,2,4H3.
What are the key properties of 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine?
7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine has a molecular weight of 243.34 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine is sourced from PubChem (CID 130243324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).