N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine

C7H12FN — CID 143182236

IUPACN-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine
SMILESC/C=C(C)\N=C\C(C)F
InChIInChI=1S/C7H12FN/c1-4-7(3)9-5-6(2)8/h4-6H,1-3H3/b7-4-,9-5+
InChIKeyFCEHRAXDNIGGGP-ICDOWURLSA-N
MW129.18 g/mol
LogP2.34
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine

N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine (PubChem CID 143182236) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine
PubChem CID143182236
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine
SMILESC/C=C(C)\N=C\C(C)F
InChIInChI=1S/C7H12FN/c1-4-7(3)9-5-6(2)8/h4-6H,1-3H3/b7-4-,9-5+
InChIKeyFCEHRAXDNIGGGP-ICDOWURLSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.34
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

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CID 89071510
N-but-2-en-2-yl-2-fluorobuta-2,3-dien-1-imine
CID 91012479
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine
CID 118311796
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-1-imine
CID 123355000
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
N-(1-fluoroprop-1-enyl)ethanimine
CID 123583069
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
N-(1-fluoroprop-1-enyl)propan-1-imine
CID 123958310
N-[(Z)-1-fluorobut-2-en-2-yl]methanimine
CID 129299402
N-[(E)-3-fluorobut-2-en-2-yl]prop-2-en-1-imine
CID 141985990
(Z)-N-[(E)-1-fluoroprop-1-en-2-yl]but-2-en-1-imine
CID 142010108

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine (CID 143182236) is N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine is C/C=C(C)\N=C\C(C)F.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine?
The InChIKey is FCEHRAXDNIGGGP-ICDOWURLSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-7(3)9-5-6(2)8/h4-6H,1-3H3/b7-4-,9-5+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine?
N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine has a molecular weight of 129.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-2-fluoropropan-1-imine is sourced from PubChem (CID 143182236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).