(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol

C8H15F2NO — CID 160689350

IUPAC(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol
SMILESN[C@H](CO)C1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c9-8(10)3-1-2-6(4-8)7(11)5-12/h6-7,12H,1-5,11H2/t6?,7-/m1/s1
InChIKeySVLKNJSVOLFARQ-COBSHVIPSA-N
MW179.21 g/mol
LogP1.13
Rot. Bonds2

About (2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol

(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol (PubChem CID 160689350) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol
PubChem CID160689350
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol
SMILESN[C@H](CO)C1CCCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c9-8(10)3-1-2-6(4-8)7(11)5-12/h6-7,12H,1-5,11H2/t6?,7-/m1/s1
InChIKeySVLKNJSVOLFARQ-COBSHVIPSA-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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Related Compounds

1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine
CID 114215925
2-cyclohexyl-1-(3,3-difluorocyclohexyl)ethanol
CID 114215735
2-(aminomethyl)-1-(3,3-difluorocyclohexyl)-4-methylpentan-1-ol
CID 114226754
cyclopentyl-(3,3-difluorocyclopentyl)methanamine
CID 130484946
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
[cyclopropyl-(3,3-difluorocyclohexyl)methyl]hydrazine
CID 130485115
(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol
CID 130563414
1-(3,3-difluorocyclohexyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 114226376
1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol
CID 114215688
1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol
CID 114215722
(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol
CID 114215750
2-amino-4-(3,3-difluorocyclohexyl)butanoic acid
CID 164530886

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol (CID 160689350) is (2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol is N[C@H](CO)C1CCCC(F)(F)C1.
What is the InChIKey of (2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol?
The InChIKey is SVLKNJSVOLFARQ-COBSHVIPSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)3-1-2-6(4-8)7(11)5-12/h6-7,12H,1-5,11H2/t6?,7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol?
(2S)-2-amino-2-(3,3-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-(3,3-difluorocyclohexyl)ethanol is sourced from PubChem (CID 160689350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).