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

C10H17F4NO — CID 103475683

IUPACN,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
SMILESC=C(C)CC(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C10H17F4NO/c1-7(2)4-8(15-3)5-16-6-10(13,14)9(11)12/h8-9,15H,1,4-6H2,2-3H3
InChIKeyNNQNHKLEKKOGNK-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.46
Rot. Bonds8

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

N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine (PubChem CID 103475683) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
PubChem CID103475683
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC NameN,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
SMILESC=C(C)CC(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C10H17F4NO/c1-7(2)4-8(15-3)5-16-6-10(13,14)9(11)12/h8-9,15H,1,4-6H2,2-3H3
InChIKeyNNQNHKLEKKOGNK-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.46
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
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
5-(2,2-difluoroethoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 103149558

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
The IUPAC name of N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine (CID 103475683) is N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine is C=C(C)CC(COCC(F)(F)C(F)F)NC.
What is the InChIKey of N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
The InChIKey is NNQNHKLEKKOGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c1-7(2)4-8(15-3)5-16-6-10(13,14)9(11)12/h8-9,15H,1,4-6H2,2-3H3.
What are the key properties of N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine has a molecular weight of 243.24 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine is sourced from PubChem (CID 103475683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).