trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol

C6H11F2NO — CID 124565378

IUPACtrans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol
SMILESN[C@@H]1CCCC(F)(F)[C@@H]1O
InChIInChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(9)5(6)10/h4-5,10H,1-3,9H2/t4-,5-/m1/s1
InChIKeyYELVGYMNGIHCKI-RFZPGFLSSA-N
MW151.16 g/mol
LogP0.49
Rot. Bonds

About trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol

trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol (PubChem CID 124565378) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol
PubChem CID124565378
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Nametrans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol
SMILESN[C@@H]1CCCC(F)(F)[C@@H]1O
InChIInChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(9)5(6)10/h4-5,10H,1-3,9H2/t4-,5-/m1/s1
InChIKeyYELVGYMNGIHCKI-RFZPGFLSSA-N
XLogP0.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol?
The IUPAC name of trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol (CID 124565378) is trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol.
What is the SMILES notation for trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol?
The canonical SMILES for trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol is N[C@@H]1CCCC(F)(F)[C@@H]1O.
What is the InChIKey of trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol?
The InChIKey is YELVGYMNGIHCKI-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)3-1-2-4(9)5(6)10/h4-5,10H,1-3,9H2/t4-,5-/m1/s1.
What are the key properties of trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol?
trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol has a molecular weight of 151.16 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,6R)-6-amino-2,2-difluorocyclohexan-1-ol is sourced from PubChem (CID 124565378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).