4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol

C10H20F3NO — CID 106147109

IUPAC4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,4-3-7-15)8-14-6-5-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyUCNCGJAMLCSMDN-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.33
Rot. Bonds7

About 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol

4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol (PubChem CID 106147109) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
PubChem CID106147109
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,4-3-7-15)8-14-6-5-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyUCNCGJAMLCSMDN-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.33
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

5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 115363475
4-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 106139906
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
3,3-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 106146928
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol (CID 106147109) is 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol is CC(C)(CCCO)CNCCC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol?
The InChIKey is UCNCGJAMLCSMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2,4-3-7-15)8-14-6-5-10(11,12)13/h14-15H,3-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol?
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol is sourced from PubChem (CID 106147109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).