N-(6-fluorohex-4-enyl)butan-2-imine

C10H18FN — CID 123917895

IUPACN-(6-fluorohex-4-enyl)butan-2-imine
SMILESCC/C(C)=N/CCCC=CCF
InChIInChI=1S/C10H18FN/c1-3-10(2)12-9-7-5-4-6-8-11/h4,6H,3,5,7-9H2,1-2H3/b6-4?,12-10+
InChIKeyRIGPZAFUZFGVRO-DVTWQWRCSA-N
MW171.26 g/mol
LogP3.16
Rot. Bonds6

About N-(6-fluorohex-4-enyl)butan-2-imine

N-(6-fluorohex-4-enyl)butan-2-imine (PubChem CID 123917895) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is N-(6-fluorohex-4-enyl)butan-2-imine.

Molecular Properties

Compound NameN-(6-fluorohex-4-enyl)butan-2-imine
PubChem CID123917895
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC NameN-(6-fluorohex-4-enyl)butan-2-imine
SMILESCC/C(C)=N/CCCC=CCF
InChIInChI=1S/C10H18FN/c1-3-10(2)12-9-7-5-4-6-8-11/h4,6H,3,5,7-9H2,1-2H3/b6-4?,12-10+
InChIKeyRIGPZAFUZFGVRO-DVTWQWRCSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-pentylcyclohexa-2,4-dien-1-imine
CID 67831795
(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine
CID 89341029
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
CID 156851749
(Z)-N-ethyl-5-fluoropent-3-en-2-imine
CID 166974523
(Z)-N-butyl-1,1,1-trifluoropent-3-en-2-imine
CID 144611117
7-methyl-3,6-dihydro-2H-azepine
CID 68099630
N-butylcyclohex-2-en-1-imine;pentane
CID 70620704

Frequently Asked Questions

What is the IUPAC name of N-(6-fluorohex-4-enyl)butan-2-imine?
The IUPAC name of N-(6-fluorohex-4-enyl)butan-2-imine (CID 123917895) is N-(6-fluorohex-4-enyl)butan-2-imine.
What is the SMILES notation for N-(6-fluorohex-4-enyl)butan-2-imine?
The canonical SMILES for N-(6-fluorohex-4-enyl)butan-2-imine is CC/C(C)=N/CCCC=CCF.
What is the InChIKey of N-(6-fluorohex-4-enyl)butan-2-imine?
The InChIKey is RIGPZAFUZFGVRO-DVTWQWRCSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-10(2)12-9-7-5-4-6-8-11/h4,6H,3,5,7-9H2,1-2H3/b6-4?,12-10+.
What are the key properties of N-(6-fluorohex-4-enyl)butan-2-imine?
N-(6-fluorohex-4-enyl)butan-2-imine has a molecular weight of 171.26 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluorohex-4-enyl)butan-2-imine is sourced from PubChem (CID 123917895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).