4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine

C13H15F2N — CID 79879887

IUPAC4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine
SMILESNC1CCC(=Cc2cccc(F)c2F)CC1
InChIInChI=1S/C13H15F2N/c14-12-3-1-2-10(13(12)15)8-9-4-6-11(16)7-5-9/h1-3,8,11H,4-7,16H2/b9-8-
InChIKeyVGUNZWXQAJRRFW-HJWRWDBZSA-N
MW223.27 g/mol
LogP3.25
Rot. Bonds1

About 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine

4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine (PubChem CID 79879887) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine
PubChem CID79879887
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine
SMILESNC1CCC(=Cc2cccc(F)c2F)CC1
InChIInChI=1S/C13H15F2N/c14-12-3-1-2-10(13(12)15)8-9-4-6-11(16)7-5-9/h1-3,8,11H,4-7,16H2/b9-8-
InChIKeyVGUNZWXQAJRRFW-HJWRWDBZSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine?
The IUPAC name of 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine (CID 79879887) is 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine is NC1CCC(=Cc2cccc(F)c2F)CC1.
What is the InChIKey of 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine?
The InChIKey is VGUNZWXQAJRRFW-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H15F2N/c14-12-3-1-2-10(13(12)15)8-9-4-6-11(16)7-5-9/h1-3,8,11H,4-7,16H2/b9-8-.
What are the key properties of 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine?
4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine has a molecular weight of 223.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 79879887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).