N-(2,2,2-trifluoroethyl)but-1-en-2-amine

C6H10F3N — CID 167212831

IUPACN-(2,2,2-trifluoroethyl)but-1-en-2-amine
SMILESC=C(CC)NCC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-3-5(2)10-4-6(7,8)9/h10H,2-4H2,1H3
InChIKeyGJLQCSRSDFXGDO-UHFFFAOYSA-N
MW153.15 g/mol
LogP2.06
Rot. Bonds3

About N-(2,2,2-trifluoroethyl)but-1-en-2-amine

N-(2,2,2-trifluoroethyl)but-1-en-2-amine (PubChem CID 167212831) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)but-1-en-2-amine
PubChem CID167212831
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC NameN-(2,2,2-trifluoroethyl)but-1-en-2-amine
SMILESC=C(CC)NCC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-3-5(2)10-4-6(7,8)9/h10H,2-4H2,1H3
InChIKeyGJLQCSRSDFXGDO-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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
3,3-difluoro-N-methylbut-1-en-2-amine
CID 129271609
(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
CID 130291029
2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
CID 130291030
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
3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine
CID 134200014
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)but-1-en-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)but-1-en-2-amine (CID 167212831) is N-(2,2,2-trifluoroethyl)but-1-en-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)but-1-en-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)but-1-en-2-amine is C=C(CC)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)but-1-en-2-amine?
The InChIKey is GJLQCSRSDFXGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-3-5(2)10-4-6(7,8)9/h10H,2-4H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethyl)but-1-en-2-amine?
N-(2,2,2-trifluoroethyl)but-1-en-2-amine has a molecular weight of 153.15 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)but-1-en-2-amine is sourced from PubChem (CID 167212831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).