5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine

C16H31F2N — CID 178020964

IUPAC5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine
SMILESCCCCC(CCC)C1CC(C)C(F)(F)CC1NC
InChIInChI=1S/C16H31F2N/c1-5-7-9-13(8-6-2)14-10-12(3)16(17,18)11-15(14)19-4/h12-15,19H,5-11H2,1-4H3
InChIKeyDSALZHRHDJGYHY-UHFFFAOYSA-N
MW275.43 g/mol
LogP4.86
Rot. Bonds7

About 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine

5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine (PubChem CID 178020964) has the molecular formula C16H31F2N and a molecular weight of 275.43 g/mol. Its IUPAC name is 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine
PubChem CID178020964
Molecular FormulaC16H31F2N
Molecular Weight275.43 g/mol
Exact Mass275.24
IUPAC Name5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine
SMILESCCCCC(CCC)C1CC(C)C(F)(F)CC1NC
InChIInChI=1S/C16H31F2N/c1-5-7-9-13(8-6-2)14-10-12(3)16(17,18)11-15(14)19-4/h12-15,19H,5-11H2,1-4H3
InChIKeyDSALZHRHDJGYHY-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine?
The IUPAC name of 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine (CID 178020964) is 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine.
What is the SMILES notation for 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine?
The canonical SMILES for 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine is CCCCC(CCC)C1CC(C)C(F)(F)CC1NC.
What is the InChIKey of 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine?
The InChIKey is DSALZHRHDJGYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2N/c1-5-7-9-13(8-6-2)14-10-12(3)16(17,18)11-15(14)19-4/h12-15,19H,5-11H2,1-4H3.
What are the key properties of 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine?
5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine has a molecular weight of 275.43 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N,4-dimethyl-2-octan-4-ylcyclohexan-1-amine is sourced from PubChem (CID 178020964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).