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

C8H15F2NO — CID 90239239

IUPAC(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol
SMILESN[C@H](CO)C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO/c9-8(10)3-1-6(2-4-8)7(11)5-12/h6-7,12H,1-5,11H2/t7-/m1/s1
InChIKeyMODLJRVNUWRXOJ-SSDOTTSWSA-N
MW179.21 g/mol
LogP1.13
Rot. Bonds2

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

(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol (PubChem CID 90239239) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol
PubChem CID90239239
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol
SMILESN[C@H](CO)C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO/c9-8(10)3-1-6(2-4-8)7(11)5-12/h6-7,12H,1-5,11H2/t7-/m1/s1
InChIKeyMODLJRVNUWRXOJ-SSDOTTSWSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.13
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?
The IUPAC name of (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol (CID 90239239) is (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol is N[C@H](CO)C1CCC(F)(F)CC1.
What is the InChIKey of (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol?
The InChIKey is MODLJRVNUWRXOJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)3-1-6(2-4-8)7(11)5-12/h6-7,12H,1-5,11H2/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol?
(2S)-2-amino-2-(4,4-difluorocyclohexyl)ethanol has a molecular weight of 179.21 g/mol, XLogP of 1.13, 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 is sourced from PubChem (CID 90239239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).