2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol

C14H25F2NO3 — CID 106176951

IUPAC2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol
SMILESCC1CC=CCC1COCC(O)CNCC(F)(F)CO
InChIInChI=1S/C14H25F2NO3/c1-11-4-2-3-5-12(11)7-20-8-13(19)6-17-9-14(15,16)10-18/h2-3,11-13,17-19H,4-10H2,1H3
InChIKeyKJMVQPUMZLKVDI-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.18
Rot. Bonds9

About 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol

2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol (PubChem CID 106176951) has the molecular formula C14H25F2NO3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol
PubChem CID106176951
Molecular FormulaC14H25F2NO3
Molecular Weight293.35 g/mol
Exact Mass293.18
IUPAC Name2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol
SMILESCC1CC=CCC1COCC(O)CNCC(F)(F)CO
InChIInChI=1S/C14H25F2NO3/c1-11-4-2-3-5-12(11)7-20-8-13(19)6-17-9-14(15,16)10-18/h2-3,11-13,17-19H,4-10H2,1H3
InChIKeyKJMVQPUMZLKVDI-UHFFFAOYSA-N
XLogP1.18
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632550
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572371
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226772
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722863
1,1,1-Trifluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-2-ol
CID 105645045
1,1-Difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-2-ol
CID 105645802
1-[2-(2,2-Difluoroethoxy)ethylamino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 105910852
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935783
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212592
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106292105
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-2-ol
CID 106429558
1-(2,2-Difluoroethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 115406645

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol (CID 106176951) is 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol is CC1CC=CCC1COCC(O)CNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol?
The InChIKey is KJMVQPUMZLKVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO3/c1-11-4-2-3-5-12(11)7-20-8-13(19)6-17-9-14(15,16)10-18/h2-3,11-13,17-19H,4-10H2,1H3.
What are the key properties of 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol?
2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol has a molecular weight of 293.35 g/mol, XLogP of 1.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol is sourced from PubChem (CID 106176951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).