1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine

C10H18FN — CID 121215887

IUPAC1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCC/C1=C\F
InChIInChI=1S/C10H18FN/c1-12(2)8-10-6-4-3-5-9(10)7-11/h7,10H,3-6,8H2,1-2H3/b9-7+
InChIKeyRDEPYLUOAXFOBG-VQHVLOKHSA-N
MW171.26 g/mol
LogP2.59
Rot. Bonds2

About 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine

1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine (PubChem CID 121215887) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine
PubChem CID121215887
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCC/C1=C\F
InChIInChI=1S/C10H18FN/c1-12(2)8-10-6-4-3-5-9(10)7-11/h7,10H,3-6,8H2,1-2H3/b9-7+
InChIKeyRDEPYLUOAXFOBG-VQHVLOKHSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine (CID 121215887) is 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine is CN(C)CC1CCCC/C1=C\F.
What is the InChIKey of 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is RDEPYLUOAXFOBG-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18FN/c1-12(2)8-10-6-4-3-5-9(10)7-11/h7,10H,3-6,8H2,1-2H3/b9-7+.
What are the key properties of 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine?
1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 171.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-(fluoromethylidene)cyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 121215887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).