3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine

C10H13F3N2O — CID 82792853

IUPAC3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
SMILESNc1ncccc1COCCCC(F)(F)F
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)4-2-6-16-7-8-3-1-5-15-9(8)14/h1,3,5H,2,4,6-7H2,(H2,14,15)
InChIKeyCTFSNZKGZWUNDD-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.52
Rot. Bonds5

About 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine

3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine (PubChem CID 82792853) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
PubChem CID82792853
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
SMILESNc1ncccc1COCCCC(F)(F)F
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)4-2-6-16-7-8-3-1-5-15-9(8)14/h1,3,5H,2,4,6-7H2,(H2,14,15)
InChIKeyCTFSNZKGZWUNDD-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62465864
3-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 163672199
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753
6-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine
CID 82792739
4-chloro-2-(4,4,4-trifluorobutoxymethyl)aniline
CID 82789716
4-chloro-3-(4,4,4-trifluorobutoxymethyl)aniline
CID 82788714
4-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469611
1-(2-amino-3-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146771
3-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 104540631
3-bromo-2-(4,4,4-trifluorobutoxy)pyridine
CID 82788804
6-(4,4,4-trifluorobutoxy)quinolin-5-amine
CID 82788005
2,4-dichloro-5-(4,4,4-trifluorobutoxymethyl)pyridine
CID 116519519

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine?
The IUPAC name of 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine (CID 82792853) is 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine.
What is the SMILES notation for 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine?
The canonical SMILES for 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine is Nc1ncccc1COCCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine?
The InChIKey is CTFSNZKGZWUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)4-2-6-16-7-8-3-1-5-15-9(8)14/h1,3,5H,2,4,6-7H2,(H2,14,15).
What are the key properties of 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine?
3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine has a molecular weight of 234.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutoxymethyl)pyridin-2-amine is sourced from PubChem (CID 82792853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).