4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine

C9H17F2NO — CID 58035393

IUPAC4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine
SMILESCOC1CC(F)(F)CCC1N(C)C
InChIInChI=1S/C9H17F2NO/c1-12(2)7-4-5-9(10,11)6-8(7)13-3/h7-8H,4-6H2,1-3H3
InChIKeyJOXFTBSYFVHPAZ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds2

About 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine

4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine (PubChem CID 58035393) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine
PubChem CID58035393
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine
SMILESCOC1CC(F)(F)CCC1N(C)C
InChIInChI=1S/C9H17F2NO/c1-12(2)7-4-5-9(10,11)6-8(7)13-3/h7-8H,4-6H2,1-3H3
InChIKeyJOXFTBSYFVHPAZ-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine (CID 58035393) is 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine is COC1CC(F)(F)CCC1N(C)C.
What is the InChIKey of 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine?
The InChIKey is JOXFTBSYFVHPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-12(2)7-4-5-9(10,11)6-8(7)13-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine?
4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methoxy-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 58035393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).