1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol

C13H25F2NO — CID 103788078

IUPAC1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(C(C)C)C(NCC(O)C(F)F)C1
InChIInChI=1S/C13H25F2NO/c1-8(2)10-5-4-9(3)6-11(10)16-7-12(17)13(14)15/h8-13,16-17H,4-7H2,1-3H3
InChIKeyNHTAFRYRTVXWAJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.66
Rot. Bonds5

About 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol

1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol (PubChem CID 103788078) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
PubChem CID103788078
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(C(C)C)C(NCC(O)C(F)F)C1
InChIInChI=1S/C13H25F2NO/c1-8(2)10-5-4-9(3)6-11(10)16-7-12(17)13(14)15/h8-13,16-17H,4-7H2,1-3H3
InChIKeyNHTAFRYRTVXWAJ-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol (CID 103788078) is 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol is CC1CCC(C(C)C)C(NCC(O)C(F)F)C1.
What is the InChIKey of 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol?
The InChIKey is NHTAFRYRTVXWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-8(2)10-5-4-9(3)6-11(10)16-7-12(17)13(14)15/h8-13,16-17H,4-7H2,1-3H3.
What are the key properties of 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol?
1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol has a molecular weight of 249.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 103788078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).