(Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine

C25H32FN — CID 138480382

IUPAC(Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine
SMILESC=C=C(CCC(=C)C(CC)/N=C/C=C\CF)c1cc2c(cc1C)CCCC2
InChIInChI=1S/C25H32FN/c1-5-21(14-13-19(3)25(6-2)27-16-10-9-15-26)24-18-23-12-8-7-11-22(23)17-20(24)4/h9-10,16-18,25H,1,3,6-8,11-15H2,2,4H3/b10-9-,27-16+
InChIKeyBZPFAZKFRSTGHL-RAJAZVRDSA-N
MW365.54 g/mol
LogP6.75
Rot. Bonds9

About (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine

(Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine (PubChem CID 138480382) has the molecular formula C25H32FN and a molecular weight of 365.54 g/mol. Its IUPAC name is (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine
PubChem CID138480382
Molecular FormulaC25H32FN
Molecular Weight365.54 g/mol
Exact Mass365.25
IUPAC Name(Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine
SMILESC=C=C(CCC(=C)C(CC)/N=C/C=C\CF)c1cc2c(cc1C)CCCC2
InChIInChI=1S/C25H32FN/c1-5-21(14-13-19(3)25(6-2)27-16-10-9-15-26)24-18-23-12-8-7-11-22(23)17-20(24)4/h9-10,16-18,25H,1,3,6-8,11-15H2,2,4H3/b10-9-,27-16+
InChIKeyBZPFAZKFRSTGHL-RAJAZVRDSA-N
XLogP6.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.54
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine?
The IUPAC name of (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine (CID 138480382) is (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine is C=C=C(CCC(=C)C(CC)/N=C/C=C\CF)c1cc2c(cc1C)CCCC2.
What is the InChIKey of (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine?
The InChIKey is BZPFAZKFRSTGHL-RAJAZVRDSA-N. The full InChI is InChI=1S/C25H32FN/c1-5-21(14-13-19(3)25(6-2)27-16-10-9-15-26)24-18-23-12-8-7-11-22(23)17-20(24)4/h9-10,16-18,25H,1,3,6-8,11-15H2,2,4H3/b10-9-,27-16+.
What are the key properties of (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine?
(Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine has a molecular weight of 365.54 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-N-[4-methylidene-7-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)nona-7,8-dien-3-yl]but-2-en-1-imine is sourced from PubChem (CID 138480382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).