6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine

C17H23F2N — CID 146210080

IUPAC6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESC=C(C)/C=C\C(=C)C(F)(F)CC1C=CC(C)=CC1(C)N
InChIInChI=1S/C17H23F2N/c1-12(2)6-8-14(4)17(18,19)11-15-9-7-13(3)10-16(15,5)20/h6-10,15H,1,4,11,20H2,2-3,5H3/b8-6-
InChIKeyUDSWPNNUGSIGOW-VURMDHGXSA-N
MW279.37 g/mol
LogP4.55
Rot. Bonds5

About 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine

6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 146210080) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID146210080
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC Name6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESC=C(C)/C=C\C(=C)C(F)(F)CC1C=CC(C)=CC1(C)N
InChIInChI=1S/C17H23F2N/c1-12(2)6-8-14(4)17(18,19)11-15-9-7-13(3)10-16(15,5)20/h6-10,15H,1,4,11,20H2,2-3,5H3/b8-6-
InChIKeyUDSWPNNUGSIGOW-VURMDHGXSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine (CID 146210080) is 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine is C=C(C)/C=C\C(=C)C(F)(F)CC1C=CC(C)=CC1(C)N.
What is the InChIKey of 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is UDSWPNNUGSIGOW-VURMDHGXSA-N. The full InChI is InChI=1S/C17H23F2N/c1-12(2)6-8-14(4)17(18,19)11-15-9-7-13(3)10-16(15,5)20/h6-10,15H,1,4,11,20H2,2-3,5H3/b8-6-.
What are the key properties of 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine?
6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 279.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 146210080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).