4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride

C8H16ClF2NO2 — CID 163295718

IUPAC4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NC1CCC(O)(C(F)(F)CO)CC1
InChIInChI=1S/C8H15F2NO2.ClH/c9-8(10,5-12)7(13)3-1-6(11)2-4-7;/h6,12-13H,1-5,11H2;1H
InChIKeyJYWANJZWJBLESC-UHFFFAOYSA-N
MW231.67 g/mol
LogP0.67
Rot. Bonds2

About 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride

4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride (PubChem CID 163295718) has the molecular formula C8H16ClF2NO2 and a molecular weight of 231.67 g/mol. Its IUPAC name is 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride
PubChem CID163295718
Molecular FormulaC8H16ClF2NO2
Molecular Weight231.67 g/mol
Exact Mass231.08
IUPAC Name4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NC1CCC(O)(C(F)(F)CO)CC1
InChIInChI=1S/C8H15F2NO2.ClH/c9-8(10,5-12)7(13)3-1-6(11)2-4-7;/h6,12-13H,1-5,11H2;1H
InChIKeyJYWANJZWJBLESC-UHFFFAOYSA-N
XLogP0.67
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride (CID 163295718) is 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride is Cl.NC1CCC(O)(C(F)(F)CO)CC1.
What is the InChIKey of 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is JYWANJZWJBLESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2.ClH/c9-8(10,5-12)7(13)3-1-6(11)2-4-7;/h6,12-13H,1-5,11H2;1H.
What are the key properties of 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride?
4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 231.67 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 163295718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).