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

C13H25F2NO — CID 103991359

IUPAC1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
SMILESCC1(C)CC(NCC(O)C(F)F)CC(C)(C)C1
InChIInChI=1S/C13H25F2NO/c1-12(2)5-9(6-13(3,4)8-12)16-7-10(17)11(14)15/h9-11,16-17H,5-8H2,1-4H3
InChIKeyWIIOOPVNRCPSCI-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.81
Rot. Bonds4

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

1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol (PubChem CID 103991359) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
PubChem CID103991359
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
SMILESCC1(C)CC(NCC(O)C(F)F)CC(C)(C)C1
InChIInChI=1S/C13H25F2NO/c1-12(2)5-9(6-13(3,4)8-12)16-7-10(17)11(14)15/h9-11,16-17H,5-8H2,1-4H3
InChIKeyWIIOOPVNRCPSCI-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol with MolForge

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Related Compounds

N-(2-ethylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965730
1,1-difluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 103731557
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103966158
1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103966285
methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
CID 113359608
1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol
CID 104871868
methyl 2-bromo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
CID 103263743
1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
CID 103966216
3,3,3-trifluoro-N'-hydroxy-2-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]propanimidamide
CID 103370117
3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 81422253
3-[(3-ethoxycyclobutyl)amino]-1,1-difluoropropan-2-ol
CID 103921698
1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103788055

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol (CID 103991359) is 1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol is CC1(C)CC(NCC(O)C(F)F)CC(C)(C)C1.
What is the InChIKey of 1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol?
The InChIKey is WIIOOPVNRCPSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-12(2)5-9(6-13(3,4)8-12)16-7-10(17)11(14)15/h9-11,16-17H,5-8H2,1-4H3.
What are the key properties of 1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol?
1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol has a molecular weight of 249.34 g/mol, XLogP of 2.81, 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-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 103991359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).