2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol

C9H18F3NO — CID 106292541

IUPAC2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
SMILESCCCC(C)(O)CNCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-4-8(2,14)7-13-6-5-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeyNOWVRBYRFDZBGZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.08
Rot. Bonds6

About 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol

2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol (PubChem CID 106292541) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
PubChem CID106292541
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
SMILESCCCC(C)(O)CNCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-4-8(2,14)7-13-6-5-9(10,11)12/h13-14H,3-7H2,1-2H3
InChIKeyNOWVRBYRFDZBGZ-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
CID 106290245
1,1,1-trifluoro-4-methylheptan-4-ol
CID 80558654
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
CID 106292488
2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
CID 106292807
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
CID 106293108
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
2-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 104760312
3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 115363475
3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
CID 114493463

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol (CID 106292541) is 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol is CCCC(C)(O)CNCCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol?
The InChIKey is NOWVRBYRFDZBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-4-8(2,14)7-13-6-5-9(10,11)12/h13-14H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol?
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol is sourced from PubChem (CID 106292541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).