1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol

C12H23F2NO — CID 103788077

IUPAC1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CC(C)(C)CCC1NCC(O)C(F)F
InChIInChI=1S/C12H23F2NO/c1-8-6-12(2,3)5-4-9(8)15-7-10(16)11(13)14/h8-11,15-16H,4-7H2,1-3H3
InChIKeyPRDOOXPIRYHOCM-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.42
Rot. Bonds4

About 1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol

1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol (PubChem CID 103788077) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol
PubChem CID103788077
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CC(C)(C)CCC1NCC(O)C(F)F
InChIInChI=1S/C12H23F2NO/c1-8-6-12(2,3)5-4-9(8)15-7-10(16)11(13)14/h8-11,15-16H,4-7H2,1-3H3
InChIKeyPRDOOXPIRYHOCM-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.42
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-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol (CID 103788077) is 1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol is CC1CC(C)(C)CCC1NCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol?
The InChIKey is PRDOOXPIRYHOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-8-6-12(2,3)5-4-9(8)15-7-10(16)11(13)14/h8-11,15-16H,4-7H2,1-3H3.
What are the key properties of 1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol?
1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol has a molecular weight of 235.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(2,4,4-trimethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 103788077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).