(E)-1,1,4-trifluorobut-3-en-2-amine

C4H6F3N — CID 141007095

IUPAC(E)-1,1,4-trifluorobut-3-en-2-amine
SMILESNC(/C=C/F)C(F)F
InChIInChI=1S/C4H6F3N/c5-2-1-3(8)4(6)7/h1-4H,8H2/b2-1+
InChIKeyCQGGIPHPEPFADM-OWOJBTEDSA-N
MW125.09 g/mol
LogP1.06
Rot. Bonds2

About (E)-1,1,4-trifluorobut-3-en-2-amine

(E)-1,1,4-trifluorobut-3-en-2-amine (PubChem CID 141007095) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is (E)-1,1,4-trifluorobut-3-en-2-amine.

Molecular Properties

Compound Name(E)-1,1,4-trifluorobut-3-en-2-amine
PubChem CID141007095
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC Name(E)-1,1,4-trifluorobut-3-en-2-amine
SMILESNC(/C=C/F)C(F)F
InChIInChI=1S/C4H6F3N/c5-2-1-3(8)4(6)7/h1-4H,8H2/b2-1+
InChIKeyCQGGIPHPEPFADM-OWOJBTEDSA-N
XLogP1.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-Difluoro-pent-2-ene-1,4-diamine
CID 20466280
(2R)-1,1,1-trifluorobut-3-en-2-amine hydrochloride
CID 166466472
1,1,1-Trifluoropent-4-en-2-amine
CID 11217547
(S)-1,1,1-Trifluoropent-4-en-2-amine
CID 55283851
1,1,1-Trifluorohex-5-en-3-amine hydrochloride
CID 121552910
(2S)-1,1,1-trifluoropent-4-en-2-amine hydrochloride
CID 171222689
1,1,1-Trifluoropent-4-en-2-ylazanium chloride
CID 11217546
1,1,1-Trifluoropent-4-en-2-amine hydrochloride
CID 85811321
1,1,1-Trifluorobut-3-en-2-amine hydrochloride
CID 17980419
1,1,1-Trifluorobut-3-en-2-amine
CID 17980420
1,1-Difluoropent-4-en-2-amine
CID 20521901
1-Fluorobut-3-en-2-amine
CID 20521903

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,4-trifluorobut-3-en-2-amine?
The IUPAC name of (E)-1,1,4-trifluorobut-3-en-2-amine (CID 141007095) is (E)-1,1,4-trifluorobut-3-en-2-amine.
What is the SMILES notation for (E)-1,1,4-trifluorobut-3-en-2-amine?
The canonical SMILES for (E)-1,1,4-trifluorobut-3-en-2-amine is NC(/C=C/F)C(F)F.
What is the InChIKey of (E)-1,1,4-trifluorobut-3-en-2-amine?
The InChIKey is CQGGIPHPEPFADM-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H6F3N/c5-2-1-3(8)4(6)7/h1-4H,8H2/b2-1+.
What are the key properties of (E)-1,1,4-trifluorobut-3-en-2-amine?
(E)-1,1,4-trifluorobut-3-en-2-amine has a molecular weight of 125.09 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,4-trifluorobut-3-en-2-amine is sourced from PubChem (CID 141007095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).