(Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine

C6H6F7N — CID 146439093

IUPAC(Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine
SMILESC/C=C\C(F)(F)C(F)C(F)(F)N(F)F
InChIInChI=1S/C6H6F7N/c1-2-3-5(8,9)4(7)6(10,11)14(12)13/h2-4H,1H3/b3-2-
InChIKeyJRLRFIKAZRKWFM-IHWYPQMZSA-N
MW225.11 g/mol
LogP3.20
Rot. Bonds4

About (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine

(Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine (PubChem CID 146439093) has the molecular formula C6H6F7N and a molecular weight of 225.11 g/mol. Its IUPAC name is (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine
PubChem CID146439093
Molecular FormulaC6H6F7N
Molecular Weight225.11 g/mol
Exact Mass225.04
IUPAC Name(Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine
SMILESC/C=C\C(F)(F)C(F)C(F)(F)N(F)F
InChIInChI=1S/C6H6F7N/c1-2-3-5(8,9)4(7)6(10,11)14(12)13/h2-4H,1H3/b3-2-
InChIKeyJRLRFIKAZRKWFM-IHWYPQMZSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine?
The IUPAC name of (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine (CID 146439093) is (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine.
What is the SMILES notation for (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine?
The canonical SMILES for (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine is C/C=C\C(F)(F)C(F)C(F)(F)N(F)F.
What is the InChIKey of (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine?
The InChIKey is JRLRFIKAZRKWFM-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H6F7N/c1-2-3-5(8,9)4(7)6(10,11)14(12)13/h2-4H,1H3/b3-2-.
What are the key properties of (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine?
(Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine has a molecular weight of 225.11 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N,1,1,2,3,3-heptafluorohex-4-en-1-amine is sourced from PubChem (CID 146439093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).