(E)-1,7,7-trifluorohept-1-en-4-amine

C7H12F3N — CID 163278127

IUPAC(E)-1,7,7-trifluorohept-1-en-4-amine
SMILESNC(C/C=C/F)CCC(F)F
InChIInChI=1S/C7H12F3N/c8-5-1-2-6(11)3-4-7(9)10/h1,5-7H,2-4,11H2/b5-1+
InChIKeyJIOBYUJHKAMZQN-ORCRQEGFSA-N
MW167.17 g/mol
LogP2.23
Rot. Bonds5

About (E)-1,7,7-trifluorohept-1-en-4-amine

(E)-1,7,7-trifluorohept-1-en-4-amine (PubChem CID 163278127) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (E)-1,7,7-trifluorohept-1-en-4-amine.

Molecular Properties

Compound Name(E)-1,7,7-trifluorohept-1-en-4-amine
PubChem CID163278127
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(E)-1,7,7-trifluorohept-1-en-4-amine
SMILESNC(C/C=C/F)CCC(F)F
InChIInChI=1S/C7H12F3N/c8-5-1-2-6(11)3-4-7(9)10/h1,5-7H,2-4,11H2/b5-1+
InChIKeyJIOBYUJHKAMZQN-ORCRQEGFSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
Hept-6-en-3-amine
CID 55290742
1,1,1-Trifluoropent-4-en-2-ylazanium chloride
CID 11217546
1,1,1-Trifluoropent-4-en-2-amine hydrochloride
CID 85811321
1-Fluorohex-5-en-2-amine
CID 15916373
1,1-Difluorohept-6-ene-2,5-diamine
CID 20477176
1-Fluorohept-6-ene-2,5-diamine
CID 20477178
1-Fluoropent-4-en-2-amine
CID 20508330
1,1-Difluoropent-4-en-2-amine
CID 20521901

Frequently Asked Questions

What is the IUPAC name of (E)-1,7,7-trifluorohept-1-en-4-amine?
The IUPAC name of (E)-1,7,7-trifluorohept-1-en-4-amine (CID 163278127) is (E)-1,7,7-trifluorohept-1-en-4-amine.
What is the SMILES notation for (E)-1,7,7-trifluorohept-1-en-4-amine?
The canonical SMILES for (E)-1,7,7-trifluorohept-1-en-4-amine is NC(C/C=C/F)CCC(F)F.
What is the InChIKey of (E)-1,7,7-trifluorohept-1-en-4-amine?
The InChIKey is JIOBYUJHKAMZQN-ORCRQEGFSA-N. The full InChI is InChI=1S/C7H12F3N/c8-5-1-2-6(11)3-4-7(9)10/h1,5-7H,2-4,11H2/b5-1+.
What are the key properties of (E)-1,7,7-trifluorohept-1-en-4-amine?
(E)-1,7,7-trifluorohept-1-en-4-amine has a molecular weight of 167.17 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,7,7-trifluorohept-1-en-4-amine is sourced from PubChem (CID 163278127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).