4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol

C8H12F5NO — CID 163295594

IUPAC4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
SMILESNC1CCC(O)(C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H12F5NO/c9-7(10,8(11,12)13)6(15)3-1-5(14)2-4-6/h5,15H,1-4,14H2
InChIKeyKGIULOFSKAMJND-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.82
Rot. Bonds1

About 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol

4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol (PubChem CID 163295594) has the molecular formula C8H12F5NO and a molecular weight of 233.18 g/mol. Its IUPAC name is 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
PubChem CID163295594
Molecular FormulaC8H12F5NO
Molecular Weight233.18 g/mol
Exact Mass233.08
IUPAC Name4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
SMILESNC1CCC(O)(C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H12F5NO/c9-7(10,8(11,12)13)6(15)3-1-5(14)2-4-6/h5,15H,1-4,14H2
InChIKeyKGIULOFSKAMJND-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol (CID 163295594) is 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol is NC1CCC(O)(C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The InChIKey is KGIULOFSKAMJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO/c9-7(10,8(11,12)13)6(15)3-1-5(14)2-4-6/h5,15H,1-4,14H2.
What are the key properties of 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol has a molecular weight of 233.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 163295594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).