2-fluoro-5-methylcyclohepta-2,6-dien-1-imine

C8H10FN — CID 123756912

IUPAC2-fluoro-5-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CC(C)CC=C1F
InChIInChI=1S/C8H10FN/c1-6-2-4-7(9)8(10)5-3-6/h3-6,10H,2H2,1H3/b10-8+
InChIKeyLDOLHLQWHKMMRO-CSKARUKUSA-N
MW139.17 g/mol
LogP2.46
Rot. Bonds

About 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine

2-fluoro-5-methylcyclohepta-2,6-dien-1-imine (PubChem CID 123756912) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name2-fluoro-5-methylcyclohepta-2,6-dien-1-imine
PubChem CID123756912
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name2-fluoro-5-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CC(C)CC=C1F
InChIInChI=1S/C8H10FN/c1-6-2-4-7(9)8(10)5-3-6/h3-6,10H,2H2,1H3/b10-8+
InChIKeyLDOLHLQWHKMMRO-CSKARUKUSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Fluorocyclohepta-2,6-dien-1-imine
CID 123197524
(E)-4-fluoro-5-methylhex-3-en-2-imine
CID 123219991
(Z)-6-fluorohex-4-en-3-imine
CID 123311862
2-Fluoro-4,4-dimethylcyclohepta-2,6-dien-1-imine
CID 123673350
7-Fluoro-2,4-dimethylhept-5-en-3-imine
CID 132194355
4-Fluoro-6-methylcyclohexa-2,4-dien-1-imine
CID 137389633
(2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride
CID 138623915
(Z)-2-methylhex-4-en-3-imine;1,1,1-trifluorobutane
CID 156717512
(Z)-1,1,1-trifluoro-5-methylhept-3-en-2-imine
CID 163963041
(E)-4-fluoro-6-methylhept-4-en-3-imine
CID 167081424
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
(3E,5R)-1,1,1-trifluoro-4,5-dimethylocta-3,7-dien-2-imine
CID 162589953

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine (CID 123756912) is 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CC(C)CC=C1F.
What is the InChIKey of 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine?
The InChIKey is LDOLHLQWHKMMRO-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-2-4-7(9)8(10)5-3-6/h3-6,10H,2H2,1H3/b10-8+.
What are the key properties of 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine?
2-fluoro-5-methylcyclohepta-2,6-dien-1-imine has a molecular weight of 139.17 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 123756912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).