2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine

C8H14F3NO — CID 170758912

IUPAC2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine
SMILESCC(CN)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-6(4-12)13-5-7(2-3-7)8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyFXAQXBFMGSSSNF-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds4

About 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine

2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine (PubChem CID 170758912) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine
PubChem CID170758912
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine
SMILESCC(CN)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-6(4-12)13-5-7(2-3-7)8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyFXAQXBFMGSSSNF-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane
CID 176677829
[1-(trifluoromethyl)cyclopropyl]methyl carbamate
CID 151400404
2-amino-1-[4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]ethanol
CID 163243558
N-methyl-N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
CID 178108544
N-[[1-(trifluoromethyl)cyclobutyl]methyl]propan-2-amine
CID 165469664
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-1-one
CID 170759258
1-(4-methylpentyl)-1-(trifluoromethyl)cyclopentane
CID 146488466
(2S)-2-prop-2-enoxypropan-1-amine
CID 55273879
(2R)-2-amino-3-[1-(trifluoromethyl)cyclopropyl]propan-1-ol
CID 163242845
2-[2-(2-aminopropoxy)propoxy]propan-1-amine
CID 14122882
2-(1-aminopropan-2-yloxy)ethanol;hydrochloride
CID 86645498
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide
CID 130626225

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine?
The IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine (CID 170758912) is 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine.
What is the SMILES notation for 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine?
The canonical SMILES for 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine is CC(CN)OCC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine?
The InChIKey is FXAQXBFMGSSSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(4-12)13-5-7(2-3-7)8(9,10)11/h6H,2-5,12H2,1H3.
What are the key properties of 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine?
2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(trifluoromethyl)cyclopropyl]methoxy]propan-1-amine is sourced from PubChem (CID 170758912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).