1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine

C10H14FN — CID 170395095

IUPAC1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
SMILESC=C1CCC=C(/C(C)=N/C)[C@@H]1F
InChIInChI=1S/C10H14FN/c1-7-5-4-6-9(10(7)11)8(2)12-3/h6,10H,1,4-5H2,2-3H3/b12-8+/t10-/m1/s1
InChIKeyPQMGAWNWXMHSTE-ZDIKFAODSA-N
MW167.23 g/mol
LogP2.69
Rot. Bonds1

About 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine

1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine (PubChem CID 170395095) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine.

Molecular Properties

Compound Name1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
PubChem CID170395095
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
SMILESC=C1CCC=C(/C(C)=N/C)[C@@H]1F
InChIInChI=1S/C10H14FN/c1-7-5-4-6-9(10(7)11)8(2)12-3/h6,10H,1,4-5H2,2-3H3/b12-8+/t10-/m1/s1
InChIKeyPQMGAWNWXMHSTE-ZDIKFAODSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.69
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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Related Compounds

(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
3,4-difluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123476549
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
4-Methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123942790
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine
CID 155371817
7-fluoro-N-methyl-3,5-dihydro-2H-naphthalen-1-imine oxide
CID 163802359
4-fluoro-1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 170254474

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine?
The IUPAC name of 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine (CID 170395095) is 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine.
What is the SMILES notation for 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine?
The canonical SMILES for 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine is C=C1CCC=C(/C(C)=N/C)[C@@H]1F.
What is the InChIKey of 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine?
The InChIKey is PQMGAWNWXMHSTE-ZDIKFAODSA-N. The full InChI is InChI=1S/C10H14FN/c1-7-5-4-6-9(10(7)11)8(2)12-3/h6,10H,1,4-5H2,2-3H3/b12-8+/t10-/m1/s1.
What are the key properties of 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine?
1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine has a molecular weight of 167.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine is sourced from PubChem (CID 170395095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).