2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol

C13H24FNO — CID 170209552

IUPAC2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1(F)CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C13H24FNO/c1-13(14)8-6-10(7-9-13)15-11-4-2-3-5-12(11)16/h10-12,15-16H,2-9H2,1H3
InChIKeyIVQFHZKFTRBFAQ-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.55
Rot. Bonds2

About 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol

2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol (PubChem CID 170209552) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol
PubChem CID170209552
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1(F)CCC(NC2CCCCC2O)CC1
InChIInChI=1S/C13H24FNO/c1-13(14)8-6-10(7-9-13)15-11-4-2-3-5-12(11)16/h10-12,15-16H,2-9H2,1H3
InChIKeyIVQFHZKFTRBFAQ-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol (CID 170209552) is 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol is CC1(F)CCC(NC2CCCCC2O)CC1.
What is the InChIKey of 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol?
The InChIKey is IVQFHZKFTRBFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-13(14)8-6-10(7-9-13)15-11-4-2-3-5-12(11)16/h10-12,15-16H,2-9H2,1H3.
What are the key properties of 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol?
2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol has a molecular weight of 229.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-4-methylcyclohexyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 170209552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).