4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol

C13H18F3NO — CID 114211469

IUPAC4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
SMILESCC(C)(C)CCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-12(2,3)6-4-11(18)9-8-17-7-5-10(9)13(14,15)16/h5,7-8,11,18H,4,6H2,1-3H3
InChIKeyMJMBJDIBMDSVFW-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.96
Rot. Bonds3

About 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol

4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol (PubChem CID 114211469) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
PubChem CID114211469
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
SMILESCC(C)(C)CCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-12(2,3)6-4-11(18)9-8-17-7-5-10(9)13(14,15)16/h5,7-8,11,18H,4,6H2,1-3H3
InChIKeyMJMBJDIBMDSVFW-UHFFFAOYSA-N
XLogP3.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 103147785
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102707904
2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707834
2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102709143
4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol
CID 171890626

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol (CID 114211469) is 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol is CC(C)(C)CCC(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol?
The InChIKey is MJMBJDIBMDSVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-12(2,3)6-4-11(18)9-8-17-7-5-10(9)13(14,15)16/h5,7-8,11,18H,4,6H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol?
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol has a molecular weight of 261.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol is sourced from PubChem (CID 114211469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).