3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol

C11H21F2NO — CID 104531293

IUPAC3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol
SMILESCC1CCC(NCC(O)C(F)F)C(C)C1
InChIInChI=1S/C11H21F2NO/c1-7-3-4-9(8(2)5-7)14-6-10(15)11(12)13/h7-11,14-15H,3-6H2,1-2H3
InChIKeyVQEACPNHDAGQLF-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.03
Rot. Bonds4

About 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol

3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol (PubChem CID 104531293) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol
PubChem CID104531293
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol
SMILESCC1CCC(NCC(O)C(F)F)C(C)C1
InChIInChI=1S/C11H21F2NO/c1-7-3-4-9(8(2)5-7)14-6-10(15)11(12)13/h7-11,14-15H,3-6H2,1-2H3
InChIKeyVQEACPNHDAGQLF-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol (CID 104531293) is 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol is CC1CCC(NCC(O)C(F)F)C(C)C1.
What is the InChIKey of 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is VQEACPNHDAGQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-7-3-4-9(8(2)5-7)14-6-10(15)11(12)13/h7-11,14-15H,3-6H2,1-2H3.
What are the key properties of 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol?
3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 221.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylcyclohexyl)amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 104531293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).