N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine

C9H12FN — CID 142313860

IUPACN-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine
SMILESC=CCC#CCN/C(F)=C\C
InChIInChI=1S/C9H12FN/c1-3-5-6-7-8-11-9(10)4-2/h3-4,11H,1,5,8H2,2H3/b9-4-
InChIKeyNMLYEUFBMZKSPO-WTKPLQERSA-N
MW153.20 g/mol
LogP1.99
Rot. Bonds3

About N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine

N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine (PubChem CID 142313860) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine.

Molecular Properties

Compound NameN-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine
PubChem CID142313860
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC NameN-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine
SMILESC=CCC#CCN/C(F)=C\C
InChIInChI=1S/C9H12FN/c1-3-5-6-7-8-11-9(10)4-2/h3-4,11H,1,5,8H2,2H3/b9-4-
InChIKeyNMLYEUFBMZKSPO-WTKPLQERSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethyl-1-fluoroprop-1-en-1-amine
CID 147840406
6-chlorohex-1-en-4-yne
CID 12714012
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
(NZ)-N-hex-5-en-2-ynylidenehydroxylamine
CID 102407485
CID 173161904
CID 173161904
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287
tert-butyl N-methyl-N-pent-4-en-1-ynylcarbamate
CID 102530378
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
carbonic acid;pent-1-en-4-yne
CID 87653517
methyl-tris(prop-2-enyl)azanium;N-[(prop-2-enoylamino)methyl]prop-2-enamide;chloride
CID 23434977
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
2-(1-fluoroethylidene)pent-4-enoic acid
CID 87744885

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine?
The IUPAC name of N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine (CID 142313860) is N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine.
What is the SMILES notation for N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine?
The canonical SMILES for N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine is C=CCC#CCN/C(F)=C\C.
What is the InChIKey of N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine?
The InChIKey is NMLYEUFBMZKSPO-WTKPLQERSA-N. The full InChI is InChI=1S/C9H12FN/c1-3-5-6-7-8-11-9(10)4-2/h3-4,11H,1,5,8H2,2H3/b9-4-.
What are the key properties of N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine?
N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine has a molecular weight of 153.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-fluoroprop-1-enyl]hex-5-en-2-yn-1-amine is sourced from PubChem (CID 142313860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).