(Z,2S)-1-fluoro-N-methylpent-3-en-2-amine

C6H12FN — CID 118438715

IUPAC(Z,2S)-1-fluoro-N-methylpent-3-en-2-amine
SMILESC/C=C\[C@@H](CF)NC
InChIInChI=1S/C6H12FN/c1-3-4-6(5-7)8-2/h3-4,6,8H,5H2,1-2H3/b4-3-/t6-/m0/s1
InChIKeyQRCOZKBRQQJNBY-SYDCGGLASA-N
MW117.17 g/mol
LogP1.12
Rot. Bonds3

About (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine

(Z,2S)-1-fluoro-N-methylpent-3-en-2-amine (PubChem CID 118438715) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z,2S)-1-fluoro-N-methylpent-3-en-2-amine
PubChem CID118438715
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(Z,2S)-1-fluoro-N-methylpent-3-en-2-amine
SMILESC/C=C\[C@@H](CF)NC
InChIInChI=1S/C6H12FN/c1-3-4-6(5-7)8-2/h3-4,6,8H,5H2,1-2H3/b4-3-/t6-/m0/s1
InChIKeyQRCOZKBRQQJNBY-SYDCGGLASA-N
XLogP1.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine?
The IUPAC name of (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine (CID 118438715) is (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine.
What is the SMILES notation for (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine?
The canonical SMILES for (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine is C/C=C\[C@@H](CF)NC.
What is the InChIKey of (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine?
The InChIKey is QRCOZKBRQQJNBY-SYDCGGLASA-N. The full InChI is InChI=1S/C6H12FN/c1-3-4-6(5-7)8-2/h3-4,6,8H,5H2,1-2H3/b4-3-/t6-/m0/s1.
What are the key properties of (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine?
(Z,2S)-1-fluoro-N-methylpent-3-en-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-1-fluoro-N-methylpent-3-en-2-amine is sourced from PubChem (CID 118438715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).