1-(trifluoromethoxy)propan-1-amine

C4H8F3NO — CID 155234979

IUPAC1-(trifluoromethoxy)propan-1-amine
SMILESCCC(N)OC(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2-3(8)9-4(5,6)7/h3H,2,8H2,1H3
InChIKeyQFZNUZWJZZBIBF-UHFFFAOYSA-N
MW143.11 g/mol
LogP1.22
Rot. Bonds2

About 1-(trifluoromethoxy)propan-1-amine

1-(trifluoromethoxy)propan-1-amine (PubChem CID 155234979) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 1-(trifluoromethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(trifluoromethoxy)propan-1-amine
PubChem CID155234979
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name1-(trifluoromethoxy)propan-1-amine
SMILESCCC(N)OC(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-2-3(8)9-4(5,6)7/h3H,2,8H2,1H3
InChIKeyQFZNUZWJZZBIBF-UHFFFAOYSA-N
XLogP1.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-Difluoroethoxy)propan-1-amine
CID 58684905
3-(Difluoromethoxy)propan-1-amine
CID 75488618
3-(Trifluoromethoxy)propan-1-amine hydrochloride
CID 121235116
1-Methoxypropan-1-amine
CID 14619209
3-(2,2,2-Trifluoroethoxy)propan-1-amine
CID 4737374
N-fluoro-1-methoxypropan-1-amine
CID 21657420
2,2,2-Trifluoro-1-methoxyethanamine
CID 55289270
3-(3,3,3-Trifluoropropoxy)propan-1-amine
CID 58684618
3-(Trifluoromethoxy)propan-1-amine
CID 64984851
3-Trifluoromethoxy-propyl-ammoniumchloride
CID 75530496
2-Fluoro-3-methoxypropan-1-amine
CID 83853881
1-(Difluoromethoxy)ethanamine
CID 84715995

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)propan-1-amine?
The IUPAC name of 1-(trifluoromethoxy)propan-1-amine (CID 155234979) is 1-(trifluoromethoxy)propan-1-amine.
What is the SMILES notation for 1-(trifluoromethoxy)propan-1-amine?
The canonical SMILES for 1-(trifluoromethoxy)propan-1-amine is CCC(N)OC(F)(F)F.
What is the InChIKey of 1-(trifluoromethoxy)propan-1-amine?
The InChIKey is QFZNUZWJZZBIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-2-3(8)9-4(5,6)7/h3H,2,8H2,1H3.
What are the key properties of 1-(trifluoromethoxy)propan-1-amine?
1-(trifluoromethoxy)propan-1-amine has a molecular weight of 143.11 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)propan-1-amine is sourced from PubChem (CID 155234979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).