(5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine

C16H25F2N — CID 130286458

IUPAC(5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine
SMILESC=C(C)CC(N)/C=C/C(=C\C=C/C)CC(CF)CF
InChIInChI=1S/C16H25F2N/c1-4-5-6-14(10-15(11-17)12-18)7-8-16(19)9-13(2)3/h4-8,15-16H,2,9-12,19H2,1,3H3/b5-4-,8-7+,14-6+
InChIKeyFJIPVJFXTNMINU-XTWBODQRSA-N
MW269.38 g/mol
LogP4.28
Rot. Bonds9

About (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine

(5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine (PubChem CID 130286458) has the molecular formula C16H25F2N and a molecular weight of 269.38 g/mol. Its IUPAC name is (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine.

Molecular Properties

Compound Name(5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine
PubChem CID130286458
Molecular FormulaC16H25F2N
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine
SMILESC=C(C)CC(N)/C=C/C(=C\C=C/C)CC(CF)CF
InChIInChI=1S/C16H25F2N/c1-4-5-6-14(10-15(11-17)12-18)7-8-16(19)9-13(2)3/h4-8,15-16H,2,9-12,19H2,1,3H3/b5-4-,8-7+,14-6+
InChIKeyFJIPVJFXTNMINU-XTWBODQRSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine with MolForge

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Related Compounds

3-Fluoro-4-methyl-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68028129
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
6-Fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68854686
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 77408480
(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine
CID 88998055
(4E,10E,12E)-15-fluoro-2,4,6,8,10,16-hexamethylheptadeca-2,4,10,12-tetraen-7-amine
CID 89090365
(4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine
CID 89153967
(2R,4Z,6Z)-6-ethyl-8-fluoro-5-methyl-3-methylideneocta-4,6-dien-2-amine
CID 89318078
1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine
CID 89318310
1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine
CID 89318381
1-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanamine
CID 89385189
(Z,2S,6R)-6-fluoro-3-methylideneoct-4-en-2-amine
CID 89952007

Frequently Asked Questions

What is the IUPAC name of (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine?
The IUPAC name of (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine (CID 130286458) is (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine.
What is the SMILES notation for (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine?
The canonical SMILES for (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine is C=C(C)CC(N)/C=C/C(=C\C=C/C)CC(CF)CF.
What is the InChIKey of (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine?
The InChIKey is FJIPVJFXTNMINU-XTWBODQRSA-N. The full InChI is InChI=1S/C16H25F2N/c1-4-5-6-14(10-15(11-17)12-18)7-8-16(19)9-13(2)3/h4-8,15-16H,2,9-12,19H2,1,3H3/b5-4-,8-7+,14-6+.
What are the key properties of (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine?
(5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine has a molecular weight of 269.38 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,9Z)-7-[3-fluoro-2-(fluoromethyl)propyl]-2-methylundeca-1,5,7,9-tetraen-4-amine is sourced from PubChem (CID 130286458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).