4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol

C9H17F2NO2 — CID 163294779

IUPAC4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol
SMILESCOCC(F)(F)C1(O)CCC(N)CC1
InChIInChI=1S/C9H17F2NO2/c1-14-6-9(10,11)8(13)4-2-7(12)3-5-8/h7,13H,2-6,12H2,1H3
InChIKeyFYEBUWBRVYWOMQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.90
Rot. Bonds3

About 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol

4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol (PubChem CID 163294779) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol
PubChem CID163294779
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol
SMILESCOCC(F)(F)C1(O)CCC(N)CC1
InChIInChI=1S/C9H17F2NO2/c1-14-6-9(10,11)8(13)4-2-7(12)3-5-8/h7,13H,2-6,12H2,1H3
InChIKeyFYEBUWBRVYWOMQ-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol (CID 163294779) is 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol is COCC(F)(F)C1(O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol?
The InChIKey is FYEBUWBRVYWOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-14-6-9(10,11)8(13)4-2-7(12)3-5-8/h7,13H,2-6,12H2,1H3.
What are the key properties of 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol?
4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol has a molecular weight of 209.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol is sourced from PubChem (CID 163294779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).