N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine

C7H10FN — CID 170977585

IUPACN-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C/C=C(\C)F
InChIInChI=1S/C7H10FN/c1-3-5-9-6-4-7(2)8/h3-5H,1,6H2,2H3/b7-4+,9-5+
InChIKeyJUEVLAULYPZDNW-XCIOYXGDSA-N
MW127.16 g/mol
LogP2.12
Rot. Bonds3

About N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine

N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine (PubChem CID 170977585) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine
PubChem CID170977585
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine
SMILESC=C/C=N/C/C=C(\C)F
InChIInChI=1S/C7H10FN/c1-3-5-9-6-4-7(2)8/h3-5H,1,6H2,2H3/b7-4+,9-5+
InChIKeyJUEVLAULYPZDNW-XCIOYXGDSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Mefcfysnjkhelm-snawjcmrsa-
CID 13354352
Ethylidene-allylamine
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(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
2-Aza-2,4,6-heptatriene
CID 59945193
4-Aza-1,3,6-heptatriene
CID 91105654
(E)-5-Azahepta-2,4-diene
CID 5463161
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405
(E)-2-fluoro-N-propylbut-2-en-1-imine
CID 123142232
2-fluoro-N-propan-2-ylbut-2-en-1-imine
CID 123204656
3-fluoro-N-methylprop-2-en-1-imine
CID 123404468
2-fluoro-N-methylbut-2-en-1-imine
CID 123705296
N-methylbut-2-enimidoyl fluoride
CID 123871369

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine?
The IUPAC name of N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine (CID 170977585) is N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine.
What is the SMILES notation for N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine?
The canonical SMILES for N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine is C=C/C=N/C/C=C(\C)F.
What is the InChIKey of N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine?
The InChIKey is JUEVLAULYPZDNW-XCIOYXGDSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-5-9-6-4-7(2)8/h3-5H,1,6H2,2H3/b7-4+,9-5+.
What are the key properties of N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine?
N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine has a molecular weight of 127.16 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine is sourced from PubChem (CID 170977585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).