1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine

C8H12F5N — CID 134531076

IUPAC1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine
SMILESC=C(C)C(F)(F)C(N(C)C)C(F)(F)F
InChIInChI=1S/C8H12F5N/c1-5(2)7(9,10)6(14(3)4)8(11,12)13/h6H,1H2,2-4H3
InChIKeyVPBDCKWIBUGQQN-UHFFFAOYSA-N
MW217.18 g/mol
LogP2.69
Rot. Bonds3

About 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine

1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine (PubChem CID 134531076) has the molecular formula C8H12F5N and a molecular weight of 217.18 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine
PubChem CID134531076
Molecular FormulaC8H12F5N
Molecular Weight217.18 g/mol
Exact Mass217.09
IUPAC Name1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine
SMILESC=C(C)C(F)(F)C(N(C)C)C(F)(F)F
InChIInChI=1S/C8H12F5N/c1-5(2)7(9,10)6(14(3)4)8(11,12)13/h6H,1H2,2-4H3
InChIKeyVPBDCKWIBUGQQN-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,1,3,3-Pentafluoro-4-methylpent-4-en-2-yl)pyrrolidine
CID 124118200
1,1,1,3,3-pentafluoro-4-methyl-N,N-bis(trifluoromethyl)pent-4-en-2-amine
CID 124118208
1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine
CID 134531023
1,2,2-trifluoro-N,3-dimethyl-N-(trifluoromethyl)but-3-en-1-amine
CID 134531029
1,2-difluoro-N,N,3-trimethyl-2-(trifluoromethyl)but-3-en-1-amine
CID 134531030
1,1,1,3,3-pentafluoro-N,4-dimethyl-N-(trifluoromethyl)pent-4-en-2-amine
CID 134531068
(2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
CID 146266978
(2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine
CID 170950702
2-Fluoro-2-(trifluoromethyl)-1-(1,2,3-trifluoro-4-methylpent-4-enyl)pyrrolidine
CID 147280269
N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-1-amine
CID 149313656

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine?
The IUPAC name of 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine (CID 134531076) is 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine?
The canonical SMILES for 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine is C=C(C)C(F)(F)C(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine?
The InChIKey is VPBDCKWIBUGQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5N/c1-5(2)7(9,10)6(14(3)4)8(11,12)13/h6H,1H2,2-4H3.
What are the key properties of 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine?
1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine has a molecular weight of 217.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine is sourced from PubChem (CID 134531076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).