4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine

C12H21F4NO — CID 103475971

IUPAC4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
SMILESC=C(C)CC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C12H21F4NO/c1-4-5-17-10(6-9(2)3)7-18-8-12(15,16)11(13)14/h10-11,17H,2,4-8H2,1,3H3
InChIKeyQKXCYHMNICSFQL-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.24
Rot. Bonds10

About 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine

4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine (PubChem CID 103475971) has the molecular formula C12H21F4NO and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
PubChem CID103475971
Molecular FormulaC12H21F4NO
Molecular Weight271.30 g/mol
Exact Mass271.16
IUPAC Name4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
SMILESC=C(C)CC(COCC(F)(F)C(F)F)NCCC
InChIInChI=1S/C12H21F4NO/c1-4-5-17-10(6-9(2)3)7-18-8-12(15,16)11(13)14/h10-11,17H,2,4-8H2,1,3H3
InChIKeyQKXCYHMNICSFQL-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3-amine
CID 141535724
(2S,3S,4Z)-N-ethyl-4-(fluoromethylidene)-2-propoxyhexan-3-amine
CID 177009735
2-methylidene-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 66045709
N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine
CID 103082750
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148484
N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523
2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148695
1-(2,2-difluoroethoxy)-N,5-dimethylhex-5-en-3-amine
CID 103149149
5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine
CID 103149222
1-(2,2-difluoroethoxy)-N-ethyl-5-methylhex-5-en-3-amine
CID 103149485

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
The IUPAC name of 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine (CID 103475971) is 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
The canonical SMILES for 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine is C=C(C)CC(COCC(F)(F)C(F)F)NCCC.
What is the InChIKey of 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
The InChIKey is QKXCYHMNICSFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO/c1-4-5-17-10(6-9(2)3)7-18-8-12(15,16)11(13)14/h10-11,17H,2,4-8H2,1,3H3.
What are the key properties of 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine has a molecular weight of 271.30 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine is sourced from PubChem (CID 103475971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).