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

C12H23F2NO — CID 104857515

IUPAC2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol
SMILESCC(C)C1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C12H23F2NO/c1-9(2)10-3-5-11(6-4-10)15-7-12(13,14)8-16/h9-11,15-16H,3-8H2,1-2H3
InChIKeyIRMBFDCQVJLODJ-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.42
Rot. Bonds5

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

2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol (PubChem CID 104857515) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol
PubChem CID104857515
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol
SMILESCC(C)C1CCC(NCC(F)(F)CO)CC1
InChIInChI=1S/C12H23F2NO/c1-9(2)10-3-5-11(6-4-10)15-7-12(13,14)8-16/h9-11,15-16H,3-8H2,1-2H3
InChIKeyIRMBFDCQVJLODJ-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

1-[[4-(2-Aminoethyl)cyclohexyl]amino]-4-fluorobutan-1-ol
CID 70905293
2,2-Difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol
CID 103578510
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 126558146
2,2-Difluoro-3-(5-methylundecan-5-ylamino)propan-1-ol
CID 155450799
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54937801
3-[(4-Ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 61529999
1,1,1-Trifluoro-3-[(4-propylcyclohexyl)amino]propan-2-ol
CID 61530000
1,1,1-Trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63900026
3-(1-Cyclohexylethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900459
3-(1-Cyclohexylpropylamino)-1,1,1-trifluoropropan-2-ol
CID 63900460
3-[(3,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 64741704
3,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64743062

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol (CID 104857515) is 2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol is CC(C)C1CCC(NCC(F)(F)CO)CC1.
What is the InChIKey of 2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol?
The InChIKey is IRMBFDCQVJLODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-9(2)10-3-5-11(6-4-10)15-7-12(13,14)8-16/h9-11,15-16H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol?
2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol has a molecular weight of 235.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(4-propan-2-ylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 104857515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).