5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol

C10H21F3N2O — CID 107198399

IUPAC5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
SMILESCC(N)C(N(C)CCCCCO)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-8(14)9(10(11,12)13)15(2)6-4-3-5-7-16/h8-9,16H,3-7,14H2,1-2H3
InChIKeyXNZRYWHANPSYNC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.36
Rot. Bonds7

About 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol

5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol (PubChem CID 107198399) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
PubChem CID107198399
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
SMILESCC(N)C(N(C)CCCCCO)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-8(14)9(10(11,12)13)15(2)6-4-3-5-7-16/h8-9,16H,3-7,14H2,1-2H3
InChIKeyXNZRYWHANPSYNC-UHFFFAOYSA-N
XLogP1.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,2,2-Trifluoroethyl)piperazin-2-yl]propan-1-ol
CID 69976541
3-[1-(2-Fluoroethyl)piperazin-2-yl]propan-1-ol
CID 88082380
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol
CID 147787502
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol;ethane;molecular hydrogen
CID 153623241
4,4-Difluoro-1-(propan-2-ylamino)pentane-1,5-diol
CID 157032398
(2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol
CID 163710568
N'-methyl-N'-[5-(trifluoromethoxy)pentyl]ethane-1,2-diamine
CID 172335279
3-Amino-1-(2,2,2-trifluoroethyl)piperidin-2-ol;hydrochloride
CID 174934185
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol
CID 61407662
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
CID 61647651
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-3-yl]methanol
CID 61647652
3-[(3-Amino-1,1,1-trifluoropentan-2-yl)-propan-2-ylamino]propan-1-ol
CID 61648152

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol (CID 107198399) is 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol is CC(N)C(N(C)CCCCCO)C(F)(F)F.
What is the InChIKey of 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol?
The InChIKey is XNZRYWHANPSYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-8(14)9(10(11,12)13)15(2)6-4-3-5-7-16/h8-9,16H,3-7,14H2,1-2H3.
What are the key properties of 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol?
5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol has a molecular weight of 242.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107198399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).