(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride

C8H16ClF2NO — CID 118536403

IUPAC(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO.ClH/c9-8(10)3-1-6(2-4-8)7(11)5-12;/h6-7,12H,1-5,11H2;1H/t7-;/m1./s1
InChIKeyBBZYSJUHCQITEG-OGFXRTJISA-N
MW215.67 g/mol
LogP1.55
Rot. Bonds2

About (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride

(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride (PubChem CID 118536403) has the molecular formula C8H16ClF2NO and a molecular weight of 215.67 g/mol. Its IUPAC name is (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride
PubChem CID118536403
Molecular FormulaC8H16ClF2NO
Molecular Weight215.67 g/mol
Exact Mass215.09
IUPAC Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO.ClH/c9-8(10)3-1-6(2-4-8)7(11)5-12;/h6-7,12H,1-5,11H2;1H/t7-;/m1./s1
InChIKeyBBZYSJUHCQITEG-OGFXRTJISA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride (CID 118536403) is (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride is Cl.N[C@H](CO)C1CCC(F)(F)CC1.
What is the InChIKey of (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride?
The InChIKey is BBZYSJUHCQITEG-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15F2NO.ClH/c9-8(10)3-1-6(2-4-8)7(11)5-12;/h6-7,12H,1-5,11H2;1H/t7-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride?
(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride has a molecular weight of 215.67 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol;hydrochloride is sourced from PubChem (CID 118536403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).