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

C8H15F2NO2 — CID 163295719

IUPAC4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol
SMILESNC1CCC(O)(C(F)(F)CO)CC1
InChIInChI=1S/C8H15F2NO2/c9-8(10,5-12)7(13)3-1-6(11)2-4-7/h6,12-13H,1-5,11H2
InChIKeyCYVTXZOZOXVVQN-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.25
Rot. Bonds2

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

4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol (PubChem CID 163295719) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol
PubChem CID163295719
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol
SMILESNC1CCC(O)(C(F)(F)CO)CC1
InChIInChI=1S/C8H15F2NO2/c9-8(10,5-12)7(13)3-1-6(11)2-4-7/h6,12-13H,1-5,11H2
InChIKeyCYVTXZOZOXVVQN-UHFFFAOYSA-N
XLogP0.25
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.25
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?
The IUPAC name of 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol (CID 163295719) is 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol is NC1CCC(O)(C(F)(F)CO)CC1.
What is the InChIKey of 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol?
The InChIKey is CYVTXZOZOXVVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c9-8(10,5-12)7(13)3-1-6(11)2-4-7/h6,12-13H,1-5,11H2.
What are the key properties of 4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol?
4-amino-1-(1,1-difluoro-2-hydroxyethyl)cyclohexan-1-ol has a molecular weight of 195.21 g/mol, XLogP of 0.25, 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 is sourced from PubChem (CID 163295719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).