N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine

C10H18F3NO — CID 103074892

IUPACN-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNCCC)COC(C)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-5-14-6-8(2)7-15-9(3)10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyIKYPICBDNVJEOR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds7

About N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine

N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074892) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103074892
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNCCC)COC(C)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-5-14-6-8(2)7-15-9(3)10(11,12)13/h9,14H,2,4-7H2,1,3H3
InChIKeyIKYPICBDNVJEOR-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074348
N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074495
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074501
N-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886
N-[2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074887

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine (CID 103074892) is N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine is C=C(CNCCC)COC(C)C(F)(F)F.
What is the InChIKey of N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is IKYPICBDNVJEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-5-14-6-8(2)7-15-9(3)10(11,12)13/h9,14H,2,4-7H2,1,3H3.
What are the key properties of N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine?
N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).