N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine

C7H14F3NO — CID 82956013

IUPACN-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
SMILESCNCCCOCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-11-4-2-5-12-6-3-7(8,9)10/h11H,2-6H2,1H3
InChIKeyXIIWITQPHODFMN-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.56
Rot. Bonds6

About N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine

N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine (PubChem CID 82956013) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
PubChem CID82956013
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC NameN-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
SMILESCNCCCOCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-11-4-2-5-12-6-3-7(8,9)10/h11H,2-6H2,1H3
InChIKeyXIIWITQPHODFMN-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
N-tert-butyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958390
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
N-methyl-3-propoxypropan-1-amine;molecular hydrogen
CID 156802558
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine?
The IUPAC name of N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine (CID 82956013) is N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine.
What is the SMILES notation for N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine?
The canonical SMILES for N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine is CNCCCOCCC(F)(F)F.
What is the InChIKey of N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine?
The InChIKey is XIIWITQPHODFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-11-4-2-5-12-6-3-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine?
N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine is sourced from PubChem (CID 82956013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).