(2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine

C23H39F2N — CID 177061057

IUPAC(2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine
SMILESC=C(/C=C\C(=C)C(C)(C)CC(/C=C(/C)F)N(CCC)CCC)C(C)(C)F
InChIInChI=1S/C23H39F2N/c1-10-14-26(15-11-2)21(16-20(5)24)17-22(6,7)18(3)12-13-19(4)23(8,9)25/h12-13,16,21H,3-4,10-11,14-15,17H2,1-2,5-9H3/b13-12-,20-16-
InChIKeyMMWBFQABJGSGIK-VOQSRDMCSA-N
MW367.57 g/mol
LogP7.18
Rot. Bonds12

About (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine

(2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine (PubChem CID 177061057) has the molecular formula C23H39F2N and a molecular weight of 367.57 g/mol. Its IUPAC name is (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine.

Molecular Properties

Compound Name(2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine
PubChem CID177061057
Molecular FormulaC23H39F2N
Molecular Weight367.57 g/mol
Exact Mass367.31
IUPAC Name(2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine
SMILESC=C(/C=C\C(=C)C(C)(C)CC(/C=C(/C)F)N(CCC)CCC)C(C)(C)F
InChIInChI=1S/C23H39F2N/c1-10-14-26(15-11-2)21(16-20(5)24)17-22(6,7)18(3)12-13-19(4)23(8,9)25/h12-13,16,21H,3-4,10-11,14-15,17H2,1-2,5-9H3/b13-12-,20-16-
InChIKeyMMWBFQABJGSGIK-VOQSRDMCSA-N
XLogP7.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.57
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
5-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-amine
CID 123386403
4-fluoro-1-[(Z,2E)-3-methyl-2-propylidenehex-3-enyl]-4-prop-2-enylazepane
CID 130216894
(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine
CID 130242940
(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
(5Z,7E)-5-ethenyl-8-fluoro-N,N,3-trimethylocta-5,7-dien-2-amine
CID 137467773
N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine
CID 138519121
N-[(5Z)-7-fluoro-3,4-dimethylideneocta-5,7-dienyl]-N,3-dimethylcyclopent-2-en-1-amine
CID 142298286
ethane;(3E,5Z)-1-ethyl-7-methyl-4-(trifluoromethyl)-1-azacycloundeca-3,5-diene
CID 143232061
(2R,4S)-4-(difluoromethyl)-2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidine
CID 146693104
(2Z,4E)-4-(1,1-difluoroethyl)-N-hexan-2-yl-N,3-dimethylhepta-2,4-dien-1-amine
CID 167169510
1-[2-Ethenyl-5-methyl-5-(trifluoromethyl)cyclohex-2-en-1-yl]-4-prop-2-enylpiperidine
CID 170033278

Frequently Asked Questions

What is the IUPAC name of (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine?
The IUPAC name of (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine (CID 177061057) is (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine.
What is the SMILES notation for (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine?
The canonical SMILES for (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine is C=C(/C=C\C(=C)C(C)(C)CC(/C=C(/C)F)N(CCC)CCC)C(C)(C)F.
What is the InChIKey of (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine?
The InChIKey is MMWBFQABJGSGIK-VOQSRDMCSA-N. The full InChI is InChI=1S/C23H39F2N/c1-10-14-26(15-11-2)21(16-20(5)24)17-22(6,7)18(3)12-13-19(4)23(8,9)25/h12-13,16,21H,3-4,10-11,14-15,17H2,1-2,5-9H3/b13-12-,20-16-.
What are the key properties of (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine?
(2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine has a molecular weight of 367.57 g/mol, XLogP of 7.18, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8Z)-2,11-difluoro-6,6,11-trimethyl-7,10-dimethylidene-N,N-dipropyldodeca-2,8-dien-4-amine is sourced from PubChem (CID 177061057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).