(3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine

C8H9F2N — CID 143518126

IUPAC(3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine
SMILESC#C/C(F)=C(NC)\C(F)=C/C
InChIInChI=1S/C8H9F2N/c1-4-6(9)8(11-3)7(10)5-2/h1,5,11H,2-3H3/b7-5+,8-6-
InChIKeyHCYDJVNEVQEHTJ-YMBWGVAGSA-N
MW157.16 g/mol
LogP1.89
Rot. Bonds2

About (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine

(3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine (PubChem CID 143518126) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine.

Molecular Properties

Compound Name(3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine
PubChem CID143518126
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name(3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine
SMILESC#C/C(F)=C(NC)\C(F)=C/C
InChIInChI=1S/C8H9F2N/c1-4-6(9)8(11-3)7(10)5-2/h1,5,11H,2-3H3/b7-5+,8-6-
InChIKeyHCYDJVNEVQEHTJ-YMBWGVAGSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methylbut-2-enamide
CID 76578732
3-(difluoromethylidene)penta-1,4-diyne
CID 101204620
(Z)-2-ethynyl-N-methylbut-2-en-1-amine
CID 177172264
(E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine
CID 130178755
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
(E)-1-chloro-2-fluoro-1-isocyanobut-1-en-3-yne
CID 101096551
methylurea;prop-2-ynoic acid
CID 172728216
(3E,5Z)-3-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 142210415
(2E,4E)-4-fluoroocta-2,4-dien-7-yn-3-amine
CID 163869241
(E)-1-fluoro-N-methylethene-1,2-diamine
CID 143821709
(E)-4-chloropent-3-en-1-yne
CID 143498837
(1E)-1-N,2-difluoro-3-N-methylbuta-1,3-diene-1,3-diamine
CID 144864558

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine?
The IUPAC name of (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine (CID 143518126) is (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine.
What is the SMILES notation for (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine?
The canonical SMILES for (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine is C#C/C(F)=C(NC)\C(F)=C/C.
What is the InChIKey of (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine?
The InChIKey is HCYDJVNEVQEHTJ-YMBWGVAGSA-N. The full InChI is InChI=1S/C8H9F2N/c1-4-6(9)8(11-3)7(10)5-2/h1,5,11H,2-3H3/b7-5+,8-6-.
What are the key properties of (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine?
(3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine has a molecular weight of 157.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,5-difluoro-N-methylhepta-3,5-dien-1-yn-4-amine is sourced from PubChem (CID 143518126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).