(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine

C10H16F5N — CID 121451126

IUPAC(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
SMILESC/C(=C\CCC(C)NCC(F)F)C(F)(F)F
InChIInChI=1S/C10H16F5N/c1-7(10(13,14)15)4-3-5-8(2)16-6-9(11)12/h4,8-9,16H,3,5-6H2,1-2H3/b7-4+
InChIKeyCRYSSCAFPPNZTL-QPJJXVBHSA-N
MW245.23 g/mol
LogP3.52
Rot. Bonds6

About (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine

(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine (PubChem CID 121451126) has the molecular formula C10H16F5N and a molecular weight of 245.23 g/mol. Its IUPAC name is (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine.

Molecular Properties

Compound Name(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
PubChem CID121451126
Molecular FormulaC10H16F5N
Molecular Weight245.23 g/mol
Exact Mass245.12
IUPAC Name(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
SMILESC/C(=C\CCC(C)NCC(F)F)C(F)(F)F
InChIInChI=1S/C10H16F5N/c1-7(10(13,14)15)4-3-5-8(2)16-6-9(11)12/h4,8-9,16H,3,5-6H2,1-2H3/b7-4+
InChIKeyCRYSSCAFPPNZTL-QPJJXVBHSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine?
The IUPAC name of (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine (CID 121451126) is (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine.
What is the SMILES notation for (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine?
The canonical SMILES for (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine is C/C(=C\CCC(C)NCC(F)F)C(F)(F)F.
What is the InChIKey of (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine?
The InChIKey is CRYSSCAFPPNZTL-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H16F5N/c1-7(10(13,14)15)4-3-5-8(2)16-6-9(11)12/h4,8-9,16H,3,5-6H2,1-2H3/b7-4+.
What are the key properties of (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine?
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine has a molecular weight of 245.23 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine is sourced from PubChem (CID 121451126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).