(3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide

C19H25F5N2O — CID 166078128

IUPAC(3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide
SMILESC=CCNC(C(=O)NC1CCC(F)(F)CC1)/C(C=C)=C(/C=C\C)C(F)(F)F
InChIInChI=1S/C19H25F5N2O/c1-4-7-15(19(22,23)24)14(6-3)16(25-12-5-2)17(27)26-13-8-10-18(20,21)11-9-13/h4-7,13,16,25H,2-3,8-12H2,1H3,(H,26,27)/b7-4-,15-14-
InChIKeyYORDLQOJVNJVDC-OCBXTPAXSA-N
MW392.41 g/mol
LogP4.45
Rot. Bonds8

About (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide

(3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide (PubChem CID 166078128) has the molecular formula C19H25F5N2O and a molecular weight of 392.41 g/mol. Its IUPAC name is (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide
PubChem CID166078128
Molecular FormulaC19H25F5N2O
Molecular Weight392.41 g/mol
Exact Mass392.19
IUPAC Name(3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide
SMILESC=CCNC(C(=O)NC1CCC(F)(F)CC1)/C(C=C)=C(/C=C\C)C(F)(F)F
InChIInChI=1S/C19H25F5N2O/c1-4-7-15(19(22,23)24)14(6-3)16(25-12-5-2)17(27)26-13-8-10-18(20,21)11-9-13/h4-7,13,16,25H,2-3,8-12H2,1H3,(H,26,27)/b7-4-,15-14-
InChIKeyYORDLQOJVNJVDC-OCBXTPAXSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide (CID 166078128) is (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide is C=CCNC(C(=O)NC1CCC(F)(F)CC1)/C(C=C)=C(/C=C\C)C(F)(F)F.
What is the InChIKey of (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide?
The InChIKey is YORDLQOJVNJVDC-OCBXTPAXSA-N. The full InChI is InChI=1S/C19H25F5N2O/c1-4-7-15(19(22,23)24)14(6-3)16(25-12-5-2)17(27)26-13-8-10-18(20,21)11-9-13/h4-7,13,16,25H,2-3,8-12H2,1H3,(H,26,27)/b7-4-,15-14-.
What are the key properties of (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide?
(3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide has a molecular weight of 392.41 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide is sourced from PubChem (CID 166078128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).