1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol

C13H18F3NO — CID 102707324

IUPAC1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
SMILESCCCCCCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-2-3-4-5-6-12(18)10-9-17-8-7-11(10)13(14,15)16/h7-9,12,18H,2-6H2,1H3
InChIKeyBNIOPQOGAOHLPJ-UHFFFAOYSA-N
MW261.29 g/mol
LogP4.10
Rot. Bonds6

About 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol

1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol (PubChem CID 102707324) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
PubChem CID102707324
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
SMILESCCCCCCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-2-3-4-5-6-12(18)10-9-17-8-7-11(10)13(14,15)16/h7-9,12,18H,2-6H2,1H3
InChIKeyBNIOPQOGAOHLPJ-UHFFFAOYSA-N
XLogP4.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]nonylhydrazine
CID 102710491
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
1-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
1-(3-bromo-4-pyridinyl)decan-1-ol
CID 151141391
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 103147785
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol?
The IUPAC name of 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol (CID 102707324) is 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol is CCCCCCC(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol?
The InChIKey is BNIOPQOGAOHLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-2-3-4-5-6-12(18)10-9-17-8-7-11(10)13(14,15)16/h7-9,12,18H,2-6H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol?
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol has a molecular weight of 261.29 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol is sourced from PubChem (CID 102707324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).