(Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal

C6H10FNO — CID 14934221

IUPAC(Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal
SMILESCC(C)N/C=C(\F)C=O
InChIInChI=1S/C6H10FNO/c1-5(2)8-3-6(7)4-9/h3-5,8H,1-2H3/b6-3-
InChIKeyYLGAGYXTNZJZDA-UTCJRWHESA-N
MW131.15 g/mol
LogP0.99
Rot. Bonds3

About (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal

(Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal (PubChem CID 14934221) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal
PubChem CID14934221
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal
SMILESCC(C)N/C=C(\F)C=O
InChIInChI=1S/C6H10FNO/c1-5(2)8-3-6(7)4-9/h3-5,8H,1-2H3/b6-3-
InChIKeyYLGAGYXTNZJZDA-UTCJRWHESA-N
XLogP0.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal?
The IUPAC name of (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal (CID 14934221) is (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal?
The canonical SMILES for (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal is CC(C)N/C=C(\F)C=O.
What is the InChIKey of (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal?
The InChIKey is YLGAGYXTNZJZDA-UTCJRWHESA-N. The full InChI is InChI=1S/C6H10FNO/c1-5(2)8-3-6(7)4-9/h3-5,8H,1-2H3/b6-3-.
What are the key properties of (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal?
(Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal has a molecular weight of 131.15 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(propan-2-ylamino)prop-2-enal is sourced from PubChem (CID 14934221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).