trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol

C7H13F2NO — CID 58385995

IUPACtrans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol
SMILESC[C@@]1(N)CCCC(F)(F)[C@H]1O
InChIInChI=1S/C7H13F2NO/c1-6(10)3-2-4-7(8,9)5(6)11/h5,11H,2-4,10H2,1H3/t5-,6+/m0/s1
InChIKeyLXMLSTXMXGAQFE-NTSWFWBYSA-N
MW165.18 g/mol
LogP0.88
Rot. Bonds

About trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol

trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol (PubChem CID 58385995) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol
PubChem CID58385995
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Nametrans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol
SMILESC[C@@]1(N)CCCC(F)(F)[C@H]1O
InChIInChI=1S/C7H13F2NO/c1-6(10)3-2-4-7(8,9)5(6)11/h5,11H,2-4,10H2,1H3/t5-,6+/m0/s1
InChIKeyLXMLSTXMXGAQFE-NTSWFWBYSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol (CID 58385995) is trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol is C[C@@]1(N)CCCC(F)(F)[C@H]1O.
What is the InChIKey of trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol?
The InChIKey is LXMLSTXMXGAQFE-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-6(10)3-2-4-7(8,9)5(6)11/h5,11H,2-4,10H2,1H3/t5-,6+/m0/s1.
What are the key properties of trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol?
trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol has a molecular weight of 165.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol is sourced from PubChem (CID 58385995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).