4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine

C7H12F3N — CID 142175087

IUPAC4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)NCCCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-6(2)11-5-3-4-7(8,9)10/h11H,1,3-5H2,2H3
InChIKeyDBRBIERCSMFGGQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.45
Rot. Bonds4

About 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine

4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 142175087) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine
PubChem CID142175087
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)NCCCC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-6(2)11-5-3-4-7(8,9)10/h11H,1,3-5H2,2H3
InChIKeyDBRBIERCSMFGGQ-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
N-(2,2-difluoroethyl)pent-1-en-2-amine
CID 88914820
1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine
CID 130277887
3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine
CID 131598533
3,3-difluoro-N-propan-2-ylbut-1-en-2-amine
CID 131998087
N-(2,2,2-trifluoroethyl)prop-1-en-2-amine
CID 134356739
1-N-methyl-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine
CID 134441892
4-N-(3,3,3-trifluoropropyl)pent-4-ene-1,4-diamine
CID 134441898
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-amine
CID 137506754
N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine
CID 139429986
N-(2-fluoroethyl)prop-1-en-2-amine
CID 143207230
N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
CID 144327432

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine (CID 142175087) is 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine is C=C(C)NCCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is DBRBIERCSMFGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-6(2)11-5-3-4-7(8,9)10/h11H,1,3-5H2,2H3.
What are the key properties of 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine?
4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 142175087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).