(2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine

C6H10FN — CID 145011966

IUPAC(2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(F)=C(\C)N
InChIInChI=1S/C6H10FN/c1-4(2)6(7)5(3)8/h1,8H2,2-3H3/b6-5-
InChIKeyOLABWDIWLVNAPY-WAYWQWQTSA-N
MW115.15 g/mol
LogP1.72
Rot. Bonds1

About (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine

(2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine (PubChem CID 145011966) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine
PubChem CID145011966
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine
SMILESC=C(C)/C(F)=C(\C)N
InChIInChI=1S/C6H10FN/c1-4(2)6(7)5(3)8/h1,8H2,2-3H3/b6-5-
InChIKeyOLABWDIWLVNAPY-WAYWQWQTSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine (CID 145011966) is (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine is C=C(C)/C(F)=C(\C)N.
What is the InChIKey of (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine?
The InChIKey is OLABWDIWLVNAPY-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H10FN/c1-4(2)6(7)5(3)8/h1,8H2,2-3H3/b6-5-.
What are the key properties of (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine?
(2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine has a molecular weight of 115.15 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 145011966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).