4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol

C13H26FNO — CID 169095003

IUPAC4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol
SMILESCCCCCC(C)(F)C1(O)CCC(N)CC1
InChIInChI=1S/C13H26FNO/c1-3-4-5-8-12(2,14)13(16)9-6-11(15)7-10-13/h11,16H,3-10,15H2,1-2H3
InChIKeyBVUBSXXUPAZZDQ-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.93
Rot. Bonds5

About 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol

4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol (PubChem CID 169095003) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol
PubChem CID169095003
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol
SMILESCCCCCC(C)(F)C1(O)CCC(N)CC1
InChIInChI=1S/C13H26FNO/c1-3-4-5-8-12(2,14)13(16)9-6-11(15)7-10-13/h11,16H,3-10,15H2,1-2H3
InChIKeyBVUBSXXUPAZZDQ-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol (CID 169095003) is 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol is CCCCCC(C)(F)C1(O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol?
The InChIKey is BVUBSXXUPAZZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-3-4-5-8-12(2,14)13(16)9-6-11(15)7-10-13/h11,16H,3-10,15H2,1-2H3.
What are the key properties of 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol?
4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol has a molecular weight of 231.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoroheptan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 169095003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).