methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine

C6H10F3NO — CID 146427393

IUPACmethoxy-[1-(trifluoromethyl)cyclopropyl]methanamine
SMILESCOC(N)C1(C(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO/c1-11-4(10)5(2-3-5)6(7,8)9/h4H,2-3,10H2,1H3
InChIKeyDNFJKZSJJWGCAW-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.26
Rot. Bonds2

About methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine

methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine (PubChem CID 146427393) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Namemethoxy-[1-(trifluoromethyl)cyclopropyl]methanamine
PubChem CID146427393
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Namemethoxy-[1-(trifluoromethyl)cyclopropyl]methanamine
SMILESCOC(N)C1(C(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO/c1-11-4(10)5(2-3-5)6(7,8)9/h4H,2-3,10H2,1H3
InChIKeyDNFJKZSJJWGCAW-UHFFFAOYSA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.26
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

[1-(Difluoromethoxymethyl)cyclopropyl]methanamine
CID 84716435
(2,2-Difluorocyclopropyl)-methoxymethanamine
CID 134455963
1-[2,2-Difluoro-1-(methoxymethyl)cyclopropyl]methanamine
CID 165643801
(1S)-3-methyl-1-(trifluoromethoxy)butan-1-amine
CID 177117874
(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine
CID 177282070
1-[(1S)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N-methylmethanamine
CID 177329942
[1-(2,2,2-Trifluoroethoxymethyl)cyclopropyl]methanamine
CID 106706074
1-[2,2-Difluoro-1-(2-methoxyethyl)cyclopropyl]methanamine
CID 165633020
1-{2,2-Difluoro-1-[(propan-2-yloxy)methyl]cyclopropyl}methanamine
CID 165840189

Frequently Asked Questions

What is the IUPAC name of methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine?
The IUPAC name of methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine (CID 146427393) is methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine.
What is the SMILES notation for methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine?
The canonical SMILES for methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine is COC(N)C1(C(F)(F)F)CC1.
What is the InChIKey of methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine?
The InChIKey is DNFJKZSJJWGCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-11-4(10)5(2-3-5)6(7,8)9/h4H,2-3,10H2,1H3.
What are the key properties of methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine?
methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine has a molecular weight of 169.15 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine is sourced from PubChem (CID 146427393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).