trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol

C6H8Cl2F2O — CID 10352891

IUPACtrans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol
SMILESOC1[C@@](F)(Cl)CCC[C@]1(F)Cl
InChIInChI=1S/C6H8Cl2F2O/c7-5(9)2-1-3-6(8,10)4(5)11/h4,11H,1-3H2/t5-,6-/m1/s1
InChIKeyJASPHPKZYCGCPX-PHDIDXHHSA-N
MW205.03 g/mol
LogP2.34
Rot. Bonds

About trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol

trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol (PubChem CID 10352891) has the molecular formula C6H8Cl2F2O and a molecular weight of 205.03 g/mol. Its IUPAC name is trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol
PubChem CID10352891
Molecular FormulaC6H8Cl2F2O
Molecular Weight205.03 g/mol
Exact Mass203.99
IUPAC Nametrans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol
SMILESOC1[C@@](F)(Cl)CCC[C@]1(F)Cl
InChIInChI=1S/C6H8Cl2F2O/c7-5(9)2-1-3-6(8,10)4(5)11/h4,11H,1-3H2/t5-,6-/m1/s1
InChIKeyJASPHPKZYCGCPX-PHDIDXHHSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol?
The IUPAC name of trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol (CID 10352891) is trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol.
What is the SMILES notation for trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol?
The canonical SMILES for trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol is OC1[C@@](F)(Cl)CCC[C@]1(F)Cl.
What is the InChIKey of trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol?
The InChIKey is JASPHPKZYCGCPX-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H8Cl2F2O/c7-5(9)2-1-3-6(8,10)4(5)11/h4,11H,1-3H2/t5-,6-/m1/s1.
What are the key properties of trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol?
trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol has a molecular weight of 205.03 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,6S)-2,6-dichloro-2,6-difluorocyclohexan-1-ol is sourced from PubChem (CID 10352891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).