4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol

C11H22F3NO — CID 107151968

IUPAC4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-10(2,3)7-9(16)8-15-6-4-5-11(12,13)14/h9,15-16H,4-8H2,1-3H3
InChIKeyMIVFSISEWCTQHZ-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.72
Rot. Bonds6

About 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol

4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol (PubChem CID 107151968) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol
PubChem CID107151968
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-10(2,3)7-9(16)8-15-6-4-5-11(12,13)14/h9,15-16H,4-8H2,1-3H3
InChIKeyMIVFSISEWCTQHZ-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.72
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-Fluoro-4-fluoromethyl-1-methylamino-pentan-2-ol
CID 57512914
1,1,1-Trifluoro-4,4-dimethyl-2-(methylaminomethyl)pentan-2-ol
CID 57672652
1-Fluoro-2,2-bis(fluoromethyl)-5-(methylamino)hexan-3-ol
CID 117736477
(3S)-2-(4,4,4-trifluorobutylamino)hexan-3-ol
CID 146647597
5,5-Bis(fluoromethyl)piperidin-3-ol
CID 166681591
4,4-Difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
CID 167099786
2-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045280
4,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 62950063
4-Methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol
CID 63900038
1,1,1-Trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
CID 63900050
1,1,1-Trifluoro-3-(pentylamino)propan-2-ol
CID 63900220
1,1,1-Trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63900457

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol (CID 107151968) is 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol is CC(C)(C)CC(O)CNCCCC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol?
The InChIKey is MIVFSISEWCTQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-10(2,3)7-9(16)8-15-6-4-5-11(12,13)14/h9,15-16H,4-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol?
4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol has a molecular weight of 241.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4,4,4-trifluorobutylamino)pentan-2-ol is sourced from PubChem (CID 107151968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).