ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine

C9H18F3N — CID 163278789

IUPACethane;(4S)-7,7,7-trifluorohept-1-en-4-amine
SMILESC=CC[C@@H](N)CCC(F)(F)F.CC
InChIInChI=1S/C7H12F3N.C2H6/c1-2-3-6(11)4-5-7(8,9)10;1-2/h2,6H,1,3-5,11H2;1-2H3/t6-;/m1./s1
InChIKeyVEUJMUSACMKHHQ-FYZOBXCZSA-N
MW197.24 g/mol
LogP3.26
Rot. Bonds4

About ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine

ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine (PubChem CID 163278789) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine.

Molecular Properties

Compound Nameethane;(4S)-7,7,7-trifluorohept-1-en-4-amine
PubChem CID163278789
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Nameethane;(4S)-7,7,7-trifluorohept-1-en-4-amine
SMILESC=CC[C@@H](N)CCC(F)(F)F.CC
InChIInChI=1S/C7H12F3N.C2H6/c1-2-3-6(11)4-5-7(8,9)10;1-2/h2,6H,1,3-5,11H2;1-2H3/t6-;/m1./s1
InChIKeyVEUJMUSACMKHHQ-FYZOBXCZSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.26
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

Oct-7-en-4-amine
CID 55289415
Oct-1-en-4-amine
CID 10964513
1,1-Difluorohept-6-ene-2,5-diamine
CID 20477176
1,1,1-Trifluoro-2-amino-5-hexene
CID 20521925
1-Fluorooct-7-en-2-amine
CID 20521926
1,1-Difluorohept-6-en-2-amine
CID 20521930
5,5-Difluoroocta-2,7-dien-4-amine
CID 54176095
1,1,1-Trifluorohept-6-en-2-amine
CID 57308198
1,1,1-Trifluorohex-5-en-3-amine
CID 61392748
7,7,7-Trifluorohept-1-en-4-amine
CID 79954081
6,6,6-Trifluorohex-1-en-3-amine
CID 79954606
1,1-Difluorohex-5-en-2-amine
CID 88731119

Frequently Asked Questions

What is the IUPAC name of ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine?
The IUPAC name of ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine (CID 163278789) is ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine.
What is the SMILES notation for ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine?
The canonical SMILES for ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine is C=CC[C@@H](N)CCC(F)(F)F.CC.
What is the InChIKey of ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine?
The InChIKey is VEUJMUSACMKHHQ-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H12F3N.C2H6/c1-2-3-6(11)4-5-7(8,9)10;1-2/h2,6H,1,3-5,11H2;1-2H3/t6-;/m1./s1.
What are the key properties of ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine?
ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine has a molecular weight of 197.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine is sourced from PubChem (CID 163278789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).