[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine

C8H15F2N — CID 125470651

IUPAC[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine
SMILESC[C@H]1C[C@@H](CN)CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-6-2-7(5-11)4-8(9,10)3-6/h6-7H,2-5,11H2,1H3/t6-,7+/m0/s1
InChIKeyMPUNVOJVNWCYOC-NKWVEPMBSA-N
MW163.21 g/mol
LogP2.02
Rot. Bonds1

About [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine

[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine (PubChem CID 125470651) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine
PubChem CID125470651
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine
SMILESC[C@H]1C[C@@H](CN)CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-6-2-7(5-11)4-8(9,10)3-6/h6-7H,2-5,11H2,1H3/t6-,7+/m0/s1
InChIKeyMPUNVOJVNWCYOC-NKWVEPMBSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine?
The IUPAC name of [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine (CID 125470651) is [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine.
What is the SMILES notation for [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine?
The canonical SMILES for [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine is C[C@H]1C[C@@H](CN)CC(F)(F)C1.
What is the InChIKey of [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine?
The InChIKey is MPUNVOJVNWCYOC-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6-2-7(5-11)4-8(9,10)3-6/h6-7H,2-5,11H2,1H3/t6-,7+/m0/s1.
What are the key properties of [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine?
[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine has a molecular weight of 163.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine is sourced from PubChem (CID 125470651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).