4,4,4-trifluoro-N-prop-2-enylbutan-2-amine

C7H12F3N — CID 102613971

IUPAC4,4,4-trifluoro-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C)CC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-3-4-11-6(2)5-7(8,9)10/h3,6,11H,1,4-5H2,2H3
InChIKeyGCWSZZZPMVDGMG-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.10
Rot. Bonds4

About 4,4,4-trifluoro-N-prop-2-enylbutan-2-amine

4,4,4-trifluoro-N-prop-2-enylbutan-2-amine (PubChem CID 102613971) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-prop-2-enylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-prop-2-enylbutan-2-amine
PubChem CID102613971
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name4,4,4-trifluoro-N-prop-2-enylbutan-2-amine
SMILESC=CCNC(C)CC(F)(F)F
InChIInChI=1S/C7H12F3N/c1-3-4-11-6(2)5-7(8,9)10/h3,6,11H,1,4-5H2,2H3
InChIKeyGCWSZZZPMVDGMG-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Prop-2-en-1-yl)(propan-2-yl)amine
CID 520711
(Prop-2-en-1-yl)(2,2,2-trifluoroethyl)amine
CID 28563252
(Prop-2-en-1-yl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 45792127
N-[(E)-3-fluoroprop-2-enyl]butan-2-amine
CID 23199520
N-(3-fluoroprop-2-enyl)butan-1-amine
CID 53674097
1,1,1-trifluoro-N-methylbut-3-en-2-amine
CID 55283620
N-ethyl-3,3-difluoroprop-2-en-1-amine
CID 59155019
N-(2,2-difluoroethyl)prop-2-en-1-amine
CID 60923061
3-fluoro-N-prop-2-enylpropan-1-amine
CID 81106914
2-fluoro-N-prop-2-enylpropan-1-amine
CID 87214953
(E)-3-fluoro-N-propylprop-2-en-1-amine
CID 88093458
1-fluoro-N-(1-fluoroprop-2-enyl)prop-2-en-1-amine
CID 88715594

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-prop-2-enylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-prop-2-enylbutan-2-amine (CID 102613971) is 4,4,4-trifluoro-N-prop-2-enylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-prop-2-enylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-prop-2-enylbutan-2-amine is C=CCNC(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-prop-2-enylbutan-2-amine?
The InChIKey is GCWSZZZPMVDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-3-4-11-6(2)5-7(8,9)10/h3,6,11H,1,4-5H2,2H3.
What are the key properties of 4,4,4-trifluoro-N-prop-2-enylbutan-2-amine?
4,4,4-trifluoro-N-prop-2-enylbutan-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.10, 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-2-enylbutan-2-amine is sourced from PubChem (CID 102613971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).