4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol

C8H16F3NO — CID 104892066

IUPAC4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)7(3-4-13)12-5-8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyLLMFGFZJOPHBMJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.55
Rot. Bonds5

About 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol

4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol (PubChem CID 104892066) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol
PubChem CID104892066
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)7(3-4-13)12-5-8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyLLMFGFZJOPHBMJ-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-4-(2-methylpropylamino)hexan-2-ol
CID 89162252
2,2-Difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol
CID 104860563
CID 153378626
CID 153378626
4-(Propan-2-ylamino)-2-(trifluoromethyl)butan-1-ol
CID 155618379
3,3,3-trifluoro-2-methyl-1-[[(2R,3S)-3-methylpentan-2-yl]amino]propan-1-ol
CID 167135036
[3,3-Difluoro-1-[(propan-2-ylamino)methyl]cyclobutyl]methanol
CID 177955292
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234
2-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045280
2,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045283
4-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
2-(2,2-Difluoroethylamino)-4-methylpentan-1-ol
CID 61246577
3-Ethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61317520

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol (CID 104892066) is 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol is CC(C)C(CCO)NCC(F)(F)F.
What is the InChIKey of 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol?
The InChIKey is LLMFGFZJOPHBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(2)7(3-4-13)12-5-8(9,10)11/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol?
4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2,2,2-trifluoroethylamino)pentan-1-ol is sourced from PubChem (CID 104892066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).