N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine

C9H16F3NO — CID 66276840

IUPACN-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
SMILESC=CCNCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-5-13-6-7(2)14-8(3)9(10,11)12/h4,7-8,13H,1,5-6H2,2-3H3
InChIKeySCGTXFGPYFSWKO-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds6

About N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine

N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine (PubChem CID 66276840) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
PubChem CID66276840
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
SMILESC=CCNCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-5-13-6-7(2)14-8(3)9(10,11)12/h4,7-8,13H,1,5-6H2,2-3H3
InChIKeySCGTXFGPYFSWKO-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.12
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

(2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine
CID 137438950
N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 61492468
N-propyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62443680
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62565222
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62566867
2-prop-2-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570819
2-propoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62582458
N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 62597992
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine
CID 62599030
2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
3,3,3-trifluoro-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 63226135
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828236

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine?
The IUPAC name of N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine (CID 66276840) is N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine is C=CCNCC(C)OC(C)C(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine?
The InChIKey is SCGTXFGPYFSWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-5-13-6-7(2)14-8(3)9(10,11)12/h4,7-8,13H,1,5-6H2,2-3H3.
What are the key properties of N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine?
N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine is sourced from PubChem (CID 66276840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).