3-fluoro-2-methylcyclohex-2-en-1-imine

C7H10FN — CID 90866592

IUPAC3-fluoro-2-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1\CCCC(F)=C1C
InChIInChI=1S/C7H10FN/c1-5-6(8)3-2-4-7(5)9/h9H,2-4H2,1H3/b9-7+
InChIKeyVRPHPDKJMPACBT-VQHVLOKHSA-N
MW127.16 g/mol
LogP2.43
Rot. Bonds

About 3-fluoro-2-methylcyclohex-2-en-1-imine

3-fluoro-2-methylcyclohex-2-en-1-imine (PubChem CID 90866592) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-fluoro-2-methylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-fluoro-2-methylcyclohex-2-en-1-imine
PubChem CID90866592
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-fluoro-2-methylcyclohex-2-en-1-imine
SMILES[H]/N=C1\CCCC(F)=C1C
InChIInChI=1S/C7H10FN/c1-5-6(8)3-2-4-7(5)9/h9H,2-4H2,1H3/b9-7+
InChIKeyVRPHPDKJMPACBT-VQHVLOKHSA-N
XLogP2.43
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.43
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

(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine
CID 170257046
5-Ethyl-3-fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 176976134
2-Methylcyclohex-2-en-1-imine
CID 86188348
3-Methylcyclohex-2-en-1-imine
CID 86209398
2-Methylcyclohex-2-ene-1,4-diimine
CID 89546735
2,3-Dimethylnon-2-en-4-imine
CID 123464515
2,3-Dimethylcyclohex-2-en-1-imine
CID 142339825
1-(2-Methylcyclohexen-1-yl)ethanimine
CID 142983848
4-Methylcyclohex-3-ene-1,2-diimine
CID 143507678
2-Propan-2-ylidenecyclohexan-1-imine
CID 143539685
(Z)-3,4-dimethylundec-3-en-2-imine
CID 166981034
1-(2-Methyl-4-methylidenecyclohexen-1-yl)ethanimine
CID 167031046

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylcyclohex-2-en-1-imine?
The IUPAC name of 3-fluoro-2-methylcyclohex-2-en-1-imine (CID 90866592) is 3-fluoro-2-methylcyclohex-2-en-1-imine.
What is the SMILES notation for 3-fluoro-2-methylcyclohex-2-en-1-imine?
The canonical SMILES for 3-fluoro-2-methylcyclohex-2-en-1-imine is [H]/N=C1\CCCC(F)=C1C.
What is the InChIKey of 3-fluoro-2-methylcyclohex-2-en-1-imine?
The InChIKey is VRPHPDKJMPACBT-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-6(8)3-2-4-7(5)9/h9H,2-4H2,1H3/b9-7+.
What are the key properties of 3-fluoro-2-methylcyclohex-2-en-1-imine?
3-fluoro-2-methylcyclohex-2-en-1-imine has a molecular weight of 127.16 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylcyclohex-2-en-1-imine is sourced from PubChem (CID 90866592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).