3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol

C10H13F3N2O — CID 63680404

IUPAC3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol
SMILESCCC(N)C(O)(c1ccncc1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-2-8(14)9(16,10(11,12)13)7-3-5-15-6-4-7/h3-6,8,16H,2,14H2,1H3
InChIKeyPYRMBPNXZLYMSM-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.57
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol

3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol (PubChem CID 63680404) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol
PubChem CID63680404
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol
SMILESCCC(N)C(O)(c1ccncc1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-2-8(14)9(16,10(11,12)13)7-3-5-15-6-4-7/h3-6,8,16H,2,14H2,1H3
InChIKeyPYRMBPNXZLYMSM-UHFFFAOYSA-N
XLogP1.57
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol
CID 63083776
3-amino-1,1,1-trifluoro-2-(4-fluoro-3-methylphenyl)pentan-2-ol
CID 55181933
3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol
CID 63974655
3-amino-2-(3-chloro-4-methylphenyl)-1,1,1-trifluoropentan-2-ol
CID 107560915
3-amino-1,1,1-trifluoro-2-imidazo[1,2-a]pyridin-5-ylpentan-2-ol
CID 102627014
3-amino-1,1,1-trifluoro-2-quinolin-5-ylpentan-2-ol
CID 81223759
ethyl 2,2-difluoro-3-hydroxy-3-pyridin-4-ylbutanoate
CID 62397575
ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate
CID 83042470
3-amino-2-(2,4-dimethoxyphenyl)-1,1,1-trifluoropentan-2-ol
CID 63082925
3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol
CID 114733018
3-amino-1,1,1-trifluoro-2-(4-methylsulfanylphenyl)nonan-2-ol
CID 118588919
3-amino-2-(1-benzothiophen-7-yl)-1,1,1-trifluoropentan-2-ol
CID 81147632

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol (CID 63680404) is 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol is CCC(N)C(O)(c1ccncc1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol?
The InChIKey is PYRMBPNXZLYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-8(14)9(16,10(11,12)13)7-3-5-15-6-4-7/h3-6,8,16H,2,14H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol?
3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol is sourced from PubChem (CID 63680404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).