N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride

C9H16FN — CID 139386680

IUPACN-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride
SMILESC/C=C\[C@](C)(CC)C/N=C/F
InChIInChI=1S/C9H16FN/c1-4-6-9(3,5-2)7-11-8-10/h4,6,8H,5,7H2,1-3H3/b6-4-,11-8+/t9-/m0/s1
InChIKeyKLVMWQSOCCTJNQ-ZFURPVGASA-N
MW157.23 g/mol
LogP2.98
Rot. Bonds4

About N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride

N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride (PubChem CID 139386680) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride.

Molecular Properties

Compound NameN-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride
PubChem CID139386680
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC NameN-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride
SMILESC/C=C\[C@](C)(CC)C/N=C/F
InChIInChI=1S/C9H16FN/c1-4-6-9(3,5-2)7-11-8-10/h4,6,8H,5,7H2,1-3H3/b6-4-,11-8+/t9-/m0/s1
InChIKeyKLVMWQSOCCTJNQ-ZFURPVGASA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride?
The IUPAC name of N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride (CID 139386680) is N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride.
What is the SMILES notation for N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride?
The canonical SMILES for N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride is C/C=C\[C@](C)(CC)C/N=C/F.
What is the InChIKey of N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride?
The InChIKey is KLVMWQSOCCTJNQ-ZFURPVGASA-N. The full InChI is InChI=1S/C9H16FN/c1-4-6-9(3,5-2)7-11-8-10/h4,6,8H,5,7H2,1-3H3/b6-4-,11-8+/t9-/m0/s1.
What are the key properties of N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride?
N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride has a molecular weight of 157.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2S)-2-ethyl-2-methylpent-3-enyl]methanimidoyl fluoride is sourced from PubChem (CID 139386680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).