[(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine

C8H15F2N — CID 125470812

IUPAC[(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
SMILESC[C@@H]1C[C@@H](CN)CCC1(F)F
InChIInChI=1S/C8H15F2N/c1-6-4-7(5-11)2-3-8(6,9)10/h6-7H,2-5,11H2,1H3/t6-,7+/m1/s1
InChIKeyWYASQTMLLITJCF-RQJHMYQMSA-N
MW163.21 g/mol
LogP2.02
Rot. Bonds1

About [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine

[(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine (PubChem CID 125470812) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
PubChem CID125470812
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name[(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
SMILESC[C@@H]1C[C@@H](CN)CCC1(F)F
InChIInChI=1S/C8H15F2N/c1-6-4-7(5-11)2-3-8(6,9)10/h6-7H,2-5,11H2,1H3/t6-,7+/m1/s1
InChIKeyWYASQTMLLITJCF-RQJHMYQMSA-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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Related Compounds

[(1R,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
CID 125470811
trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
CID 121406270
4,4-difluoro-3-methylcyclohexane-1-carboxamide
CID 118559743
ethane;(4-ethyl-4-methylcyclohexyl)methanamine
CID 143414681
[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine
CID 125470651
[4-(aminomethyl)-4-methylcyclohexyl]methanamine
CID 123492077
(3-methylcyclohexyl)methanamine
CID 18361468
CID 155348995
CID 155348995
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
(4,4-dimethoxycyclohexyl)methanamine
CID 83695645
[(2R,4S)-2-methylpiperidin-4-yl]methanamine
CID 129409873
1,1-difluoro-2-methylcyclohexane
CID 15044189

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine?
The IUPAC name of [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine (CID 125470812) is [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine?
The canonical SMILES for [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine is C[C@@H]1C[C@@H](CN)CCC1(F)F.
What is the InChIKey of [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine?
The InChIKey is WYASQTMLLITJCF-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6-4-7(5-11)2-3-8(6,9)10/h6-7H,2-5,11H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine?
[(1S,3R)-4,4-difluoro-3-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 [(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 125470812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).